SCHEMBL4187568

SCHEMBL4187568

COC(=O)c1sc2ccccc2c1NC(=O)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 8/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 7/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 5/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4327933 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4751445 0.78 L3MBTL1 (0.58) ALDH1A1L3MBTL1LMNAHPGDMEN1
SCHEMBL4187378 0.78 KDM4E (0.51) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4185817 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4734032 0.76 MAPT (0.47) ALDH1A1TSHRL3MBTL1LMNAHPGD
SCHEMBL4736772 0.76 MAPT (0.47) ALDH1A1KDM4ETSHRL3MBTL1LMNA
SCHEMBL4187652 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4749651 0.74 KDM4E (0.54) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL5371520 0.71 KDM4E (0.66) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL4326021 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRL3MBTL1LMNA

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
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
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