SCHEMBL4185817

SCHEMBL4185817

COC(=O)c1sc2ccccc2c1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4196894 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4187652 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4188256 0.83 KDM4E (0.47) KDM4EL3MBTL1LMNATP53KMT2A
SCHEMBL4178799 0.83 NPSR1 (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL4181297 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL31538574 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4333252 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4187568 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4196907 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL5371520 0.74 KDM4E (0.66) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009048274-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-16 WO claimed
WO-2009048274-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-16 WO disclosed