SCHEMBL9524469

SCHEMBL9524469

COC(=O)c1sc(S)c(Cl)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
COMT P21964 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK14 Q16539 2/20 0.37
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9525950 0.81 KMT2A (0.45) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL9827011 0.79 KMT2A (0.44) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL9367269 0.79 MAPT (0.44) KMT2AMAPTHSD17B10TSHRKDM4E
SCHEMBL9526037 0.78 KMT2A (0.42) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL1086028 0.75 KMT2A (0.56) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL1720659 0.73 KMT2A (0.54) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL20892464 0.71 MAPT (0.47) KMT2AMAPTHSD17B10TSHRKDM4E
SCHEMBL1529858 0.69 MAPT (0.50) KMT2AMAPTHSD17B10TSHRCOMT
SCHEMBL1086031 0.68 MAPT (0.48) KMT2AMAPTHSD17B10TSHRKDM4E
SCHEMBL9826167 0.68 MAPT (0.48) KMT2AMAPTHSD17B10TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025027-C Organic compounds and their use as pharmaceuticals LILLY SA (ES) 1994-06-15 CN disclosed
EP-0297697-B1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1993-12-29 EP disclosed
US-4904686-A 3-ALKOXYTHIOPHENE-2-CARBOXAMIDES; CENTRAL NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1990-02-27 US disclosed
CN-1030916-A Organic compound and as the application of medicine LILLY SA (ES) 1989-02-08 CN disclosed
EP-0297697-A1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1989-01-04 EP disclosed