SCHEMBL8092636

SCHEMBL8092636

c1ccc2sc(SSC3CCCCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 1.00
ALDH1A1 P00352 7/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 4/20 0.62
FBP1 P09467 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALOX15 P16050 2/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
MC5R P33032 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
OPRK1 P41145 1/20 0.62
CCR2 P41597 1/20 0.62
HTR6 P50406 1/20 0.62
SLC6A3 Q01959 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7936585 0.92 TXN (0.85) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL7935471 0.86 TXN (0.76) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL368458 0.84 TXN (0.73) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL23295264 0.83 TXN (0.70) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL8826875 0.79 TXN (0.64) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL7055245 0.78 ALDH1A1 (0.67) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL30350291 0.78 ALDH1A1 (0.75) TXNALDH1A1HPGDHSD17B10FBP1
SCHEMBL11753237 0.78 TXN (0.64) TXNALDH1A1HPGDHSD17B10FBP1
Benzothiazyl Disulfide SCHEMBL11095350 0.78 ALDH1A1 (1.00) TXNALDH1A1HPGDHSD17B10FBP1
Benzothiazyl Disulfide SCHEMBL23527 0.78 ALDH1A1 (1.00) TXNALDH1A1HPGDHSD17B10FBP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129811-B2 Methods and compositions to prevent or treat bacterial infections BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-28 US claimed
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US claimed
US-20160151333-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-06-02 US claimed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 WO claimed
EP-3658614-B1 PROCESSES FOR FORMING VULCANIZABLE ELASTOMERIC FORMULATIONS AND VULCANIZED ELASTOMERIC ARTICLES FLEXSYS HOLDINGS INC (US) 2025-09-10 EP disclosed
CN-110914350-B Methods of forming vulcanizable elastomeric formulations and vulcanized elastomeric articles 伊士曼化工公司 2022-07-12 CN disclosed
US-11129811-B2 Methods and compositions to prevent or treat bacterial infections BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-28 US disclosed
US-11021581-B2 Durable elastomeric compositions employing cyclododecasulfur as a vulcanizing agent EASTMAN CHEMICAL COMPANY (US) 2021-06-01 US disclosed
EP-3658614-A1 PROCESSES FOR FORMING VULCANIZABLE ELASTOMERIC FORMULATIONS AND VULCANIZED ELASTOMERIC ARTICLES Eastman Chemical Company (US) 2020-06-03 EP disclosed
CN-110914350-A Methods of forming vulcanizable elastomeric formulations and vulcanized elastomeric articles 伊士曼化工公司 2020-03-24 CN disclosed
US-10478485-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-11-19 US disclosed
US-10398682-B2 Methods and compositions to prevent or treat bacterial infections THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-03 US disclosed
US-20180193442-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-07-12 US disclosed
US-20170321033-A1 PROCESSES FOR FORMING VULCANIZABLE ELASTOMERIC FORMULATIONS AND VULCANIZED ELASTOMERIC ARTICLES EASTMAN CHEMICAL COMPANY (US) 2017-11-09 US disclosed
WO-2017004545-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2017-01-05 WO disclosed
US-20160151333-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-06-02 US disclosed
WO-2015009699-A1 METHODS AND COMPOSITIONS TO PREVENT OR TREAT BACTERIAL INFECTIONS KETTER PATRICK (US) 2015-01-22 WO disclosed
EP-0590457-B1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 2000-12-06 EP disclosed
US-6140427-A 2-(SUBSTITUTED ALKYLTHIO)BENZOTHIAZOLE DERIVATIVES WHICH EFFECT CHAIN TRANSFER OF RUBBER SIDE CHAINS DURING VULCANIZATION BAYER AG (DE) 2000-10-31 US disclosed
EP-0590457-A1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 1994-04-06 EP disclosed