SCHEMBL31376407

SCHEMBL31376407

NC(=O)c1cc2c([nH]c1=O)CCOC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.39
PARP1 P09874 3/20 0.38
ROCK2 O75116 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.31
IKBKB O14920 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK8 P45983 1/20 0.30

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
SCHEMBL17678623 0.86 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL30705602 0.81 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL24159176 0.80 MAP2K1 (0.37) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL30810912 0.79 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL31376414 0.79 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL31376415 0.78 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDPARP1
SCHEMBL20939569 0.78 KDM4E (0.33) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL32662518 0.75 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL20939530 0.74 TNKS2 (0.38) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL30705455 0.74 KDM4E (0.31) KDM4EALDH1A1HSD17B10HPGDHTT

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
CN-119403787-A 3- (Sulfonyl or iminosulfonyl) prop-2-en-1-yl ] -2-oxo-1, 2-dihydropyridine-3-carboxamide derivatives 福临德治疗公司 2025-02-07 CN claimed
CN-119403787-A 3- (Sulfonyl or iminosulfonyl) prop-2-en-1-yl ] -2-oxo-1, 2-dihydropyridine-3-carboxamide derivatives 福临德治疗公司 2025-02-07 CN disclosed