SCHEMBL9530249

SCHEMBL9530249

CCCCc1sccc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 8/20 0.38
GAA P10253 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
MDM2 Q00987 1/20 0.37
HPGD P15428 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 3/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PIM1 P11309 1/20 0.32
LMNA P02545 2/20 0.32
GRM2 Q14416 1/20 0.32
APAF1 O14727 1/20 0.32
NOD2 Q9HC29 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
SCHEMBL9702576 0.80 KDM4E (0.38) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9702603 0.73
SCHEMBL1258908 0.72 CRHBP (0.49) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL7646385 0.70 PDE5A (0.44) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9530230 0.69 MDM2 (0.41) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9701360 0.69 MDM2 (0.45) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL27474774 0.69 HSD17B10 (0.40) KDM4EALDH1A1L3MBTL1HPGDLMNA
SCHEMBL9528029 0.68 KDM4E (0.52) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9701567 0.68 MDM2 (0.50) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL7644788 0.66 PDE5A (0.45) KDM4EALDH1A1GAAL3MBTL1GLA

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed