SCHEMBL9702576

SCHEMBL9702576

CCCCc1ccsc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
GAA P10253 4/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 1/20 0.37
HPGD P15428 4/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 2/20 0.34
GRM2 Q14416 1/20 0.34
APAF1 O14727 1/20 0.34
LMNA P02545 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 1/20 0.32
HCAR3 P49019 1/20 0.32

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
SCHEMBL9530249 0.80 KDM4E (0.38) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701360 0.77 MDM2 (0.45) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9700783 0.72
SCHEMBL1258908 0.72 CRHBP (0.49) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL20869442 0.71 TYR (0.39) KDM4EALDH1A1GAAHPGDPDE3B
SCHEMBL9701567 0.70 MDM2 (0.50) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9432027 0.68 PDE3B (0.48) KDM4EALDH1A1GAAHPGDPDE3B
SCHEMBL9528029 0.68 KDM4E (0.52) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL2305264 0.67 HSD17B10 (0.37) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL21652406 0.66 LIPG (0.41) KDM4EALDH1A1HPGDHTTLMNA

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed