SCHEMBL6630179

SCHEMBL6630179

CC(NC(C(N)=O)c1ccccc1Cl)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 2/20 0.40
CXCL8 P10145 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
PYGL P06737 1/20 0.36
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL7055714 0.88 OPRM1 (0.44) ALOX5ALDH1A1MAPTHPGDPOLB
SCHEMBL6140943 0.88 OPRM1 (0.44) ALOX5ALDH1A1MAPTHPGDPOLB
SCHEMBL5673263 0.88 OPRM1 (0.44) ALOX5ALDH1A1MAPTHPGDPOLB
Hydrochloric Acid SCHEMBL4846461 0.87 OPRM1 (0.43) ALOX5ALDH1A1MAPTHPGDPOLB
Hydrochloric Acid SCHEMBL5444914 0.87 OPRM1 (0.43) ALOX5ALDH1A1MAPTHPGDPOLB
SCHEMBL29004148 0.86 OPRM1 (0.42) ALOX5ALDH1A1MAPTHPGDPOLB
SCHEMBL1341906 0.86 OPRM1 (0.42) ALOX5ALDH1A1MAPTHPGDPOLB
Hydrochloric Acid SCHEMBL28365291 0.85 OPRM1 (0.41) ALOX5ALDH1A1MAPTHPGDPOLB
Hydrochloric Acid SCHEMBL1160455 0.85 OPRM1 (0.41) ALOX5ALDH1A1MAPTHPGDPOLB
SCHEMBL8947244 0.83 ALOX5 (0.50) ALOX5ALDH1A1MAPTHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404681-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROTHIENO [3,2-C] PYRIDINE DERIVATIVES Brantford Chemicals Inc. (CA) 2004-04-07 EP disclosed
WO-2003004502-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROTHIENO [3,2-C] PYRIDINE DERIVATIVES BRANTFORD CHEMICALS INC. (CA) 2003-01-16 WO disclosed
US-6495691-B1 THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, WHEREIN THE MEANING OF X IS HYDROGEN, CARBOXYL, ALKOXYCARBONYL, ARYLOXYCARBONYL, NITRILE, OR CARBAMOYL OF THE FORMULA TICLOPIDINE, IS AN ANTITHROMBOTIC DRUG WITH PLATELET AGGREGATION INHIBITING BRANTFORD CHEMICALS INC. (CA) 2002-12-17 US disclosed