SCHEMBL31384804

SCHEMBL31384804

Cc1ccc(C#N)cc1-c1ccc(-c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
MAPK14 Q16539 1/20 0.45
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL31384803 0.83 LDHA (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15856481 0.82 PTGDR2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29788076 0.82 PTGDR2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25779927 0.79 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18573258 0.78 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2187799 0.77 ENPP3 (0.51) MAPK14HPGDALDH1A1CYP11B1CYP11B2
SCHEMBL3415023 0.77 ALDH1A1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17540172 0.77 CYP11B2 (0.58) KDM4EHPGDCYP11B1CYP11B2
SCHEMBL23956291 0.76 LDHA (0.42) CYP11B1CYP11B2LDHA
SCHEMBL21742836 0.74 LDHA (0.46) HPGDALDH1A1CYP11B1CYP11B2LDHA

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-119403813-A Organic compound, light-emitting device, and display device 株式会社半导体能源研究所 2025-02-07 CN disclosed