SCHEMBL31330132

SCHEMBL31330132

CCc1nc2cc(C(=O)OC)sc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 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
SCHEMBL30898847 0.79 CSNK2A2 (0.43) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL31330120 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31330123 0.75 ALDH1A1 (0.43) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1697934 0.72 CSNK2A1 (0.40) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31330011 0.72 KDM4E (0.44) KDM4EPARP1TNKSPARP6PARP2
SCHEMBL25099251 0.71 KDM4E (0.54) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL22912783 0.71 KDM4E (0.57) KDM4EALDH1A1HPGDCSNK2A1HSD17B10
SCHEMBL22912821 0.69 KDM4E (0.45) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL29394062 0.69 KDM4E (0.45) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL25402627 0.67 CSNK2A2 (0.43) KDM4EALDH1A1HPGDNPC1RAB9A

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-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed