SCHEMBL7294193

SCHEMBL7294193

C[S+]([O-])Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 5/20 0.41
HSD17B10 Q99714 5/20 0.41
CTSD P07339 1/20 0.41
PTGS2 P35354 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 4/20 0.38
IDO1 P14902 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL8757357 0.78 TSHR (0.48) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL2544869 0.78 ALDH1A1 (0.45) TSHRALDH1A1TDP1HSD17B10CTSD
Hydrochloric Acid SCHEMBL9003482 0.76 TSHR (0.46) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL18598680 0.75 MAPT (0.39) ALDH1A1TDP1HSD17B10ALOX15ALOX12
SCHEMBL3723687 0.75
SCHEMBL8009795 0.75 CA1 (0.35) IDO1CA12CA1CA2CA9
SCHEMBL4546339 0.75 MAPT (0.50) ALDH1A1HSD17B10MAPTCYP3A4IDO1
SCHEMBL20124844 0.74 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL8278235 0.74 TDP1 (0.43) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL21034656 0.74 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894509-A Sodium channel blocking compounds, derivatives thereof, and methods of use thereof 拉堤果生物医疗股份有限公司 2025-04-25 CN disclosed
CN-115846179-A Method for producing an antifouling coating system 汉伯公司 2023-03-28 CN disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
CN-102989132-A Golf ball DUNLOP SPORTS CO LTD 2013-03-27 CN disclosed
WO-2009138589-A1 NOVEL CATALYTIC SYSTEMS FOR THE RING-OPENING (CO)POLYMERIZATION OF LACTONES IPSEN PHARMA S.A.S. (FR) 2009-11-19 WO disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed