SCHEMBL29122566

SCHEMBL29122566

CCc1cc(Br)sc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
GSK3B P49841 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
PPARG P37231 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL2729001 0.88 GSK3B (0.43) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL31222852 0.86 L3MBTL1 (0.46) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1437636 0.79 GSK3B (0.44) HSD17B10TSHRGSK3BNPSR1PKM
SCHEMBL319034 0.79 GSK3B (0.53) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL12271839 0.79 L3MBTL1 (0.42) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL613592 0.78 KDM4E (0.40) HSD17B10ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4337879 0.78 KMT2A (0.54) HSD17B10ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL1971697 0.78 MAPT (0.44) HSD17B10ALDH1A1HPGDKDM4EATM
SCHEMBL1374020 0.78 TSHR (0.44) HSD17B10HPGDL3MBTL1KDM4ETSHR
SCHEMBL2730725 0.78 MAPT (0.44) HSD17B10ALDH1A1HPGDKDM4ETSHR

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
CN-117120450-A Thienopyrrole compounds 吉利德科学公司 2023-11-24 CN disclosed