SCHEMBL4181297

SCHEMBL4181297

COC(=O)c1sc2ccccc2c1NC(=O)CCSc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 6/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL4187652 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4196894 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4185817 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4333252 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL31538574 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL5371520 0.76 KDM4E (0.66) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4751468 0.75 MAPK8 (0.64) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL31531227 0.73 KDM4E (0.53) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL31538652 0.73 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR
SCHEMBL4737934 0.72 L3MBTL1 (0.76) ALDH1A1KDM4EL3MBTL1HSD17B10TSHR

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 1 patent. 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 disclosed