SCHEMBL31376608

SCHEMBL31376608

CC1(C)CCc2[nH]c(=O)c(C(N)=O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
RXFP1 Q9HBX9 3/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
BTK Q06187 1/20 0.33
HTT P42858 1/20 0.33
BUB1 O43683 1/20 0.32
PARP1 P09874 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HSP90AA1 P07900 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL30705661 0.83 KDM4E (0.42) KDM4EHSD17B10ALDH1A1HPGDOPRM1
SCHEMBL31376591 0.83 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDOPRM1
SCHEMBL31376414 0.77 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDOPRM1
SCHEMBL30810912 0.77 KDM4E (0.72) KDM4EHSD17B10ALDH1A1HPGDTP53
SCHEMBL30705510 0.75 GRIA1 (0.35) KDM4EHSD17B10ALDH1A1HPGDBUB1
SCHEMBL31376415 0.75 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDTP53
Hydrochloric Acid SCHEMBL30705545 0.75
SCHEMBL30705553 0.74 GRIA1 (0.33) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30810863 0.72 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL31376411 0.71 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1HPGDOPRM1

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-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