SCHEMBL7936585

SCHEMBL7936585

c1ccc2sc(SSC3CCC(SSc4nc5ccccc5s4)CC3)nc2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.85
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 5/20 0.68
HPGD P15428 4/20 0.68
FBP1 P09467 3/20 0.68
ALOX15 P16050 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
DRD2 P14416 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
DRD1 P21728 1/20 0.68
MC5R P33032 1/20 0.68
OPRM1 P35372 1/20 0.68
DRD3 P35462 1/20 0.68
OPRK1 P41145 1/20 0.68
CCR2 P41597 1/20 0.68
HTR6 P50406 1/20 0.68
SLC6A3 Q01959 1/20 0.68

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
SCHEMBL8092636 0.92 TXN (1.00) TXNALDH1A1HSD17B10HPGDFBP1
SCHEMBL7935471 0.84 TXN (0.76) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL29356396 0.82 ALDH1A1 (1.00) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL23527 0.82 ALDH1A1 (1.00) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL11095350 0.82 ALDH1A1 (1.00) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL3787918 0.80 ALDH1A1 (0.96) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL8609896 0.80 ALDH1A1 (0.96) TXNALDH1A1HSD17B10HPGDFBP1
SCHEMBL9333972 0.78 ALDH1A1 (0.84) TXNALDH1A1HSD17B10HPGDFBP1
Benzothiazyl Disulfide SCHEMBL20973165 0.78 ALDH1A1 (0.92) TXNALDH1A1HSD17B10HPGDFBP1
SCHEMBL11309311 0.78 ALDH1A1 (0.84) TXNALDH1A1HSD17B10HPGDFBP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326438-B1 Rubber containing a bismaleimide and a bisbenzothiazolyldithio end capped compound THE GOODYEAR TIRE & RUBBER COMPANY 2001-12-04 US claimed
US-6079468-A Rubber article containing a bismaleimide and a bis benzothiazolydithio end capped compound THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-06-27 US claimed
EP-0823453-A1 A rubber compound having improved reversion resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-02-11 EP claimed
US-6326438-B1 Rubber containing a bismaleimide and a bisbenzothiazolyldithio end capped compound THE GOODYEAR TIRE & RUBBER COMPANY 2001-12-04 US disclosed
US-6079468-A Rubber article containing a bismaleimide and a bis benzothiazolydithio end capped compound THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-06-27 US disclosed
EP-0823453-A1 A rubber compound having improved reversion resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-02-11 EP disclosed