SCHEMBL9701346

SCHEMBL9701346

CSc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 7/20 0.64
GAA P10253 5/20 0.64
GLA P06280 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MDM2 Q00987 1/20 0.48
RXFP1 Q9HBX9 3/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.43
GALR3 O60755 1/20 0.43
HPGD P15428 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
MCL1 Q07820 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9701560 0.85 KDM4E (0.59) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9702565 0.81 KDM4E (0.55) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9700724 0.80 KDM4E (0.66) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7397061 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9525290 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11735164 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11741908 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9526447 0.78 GAA (1.00) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9700710 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL4474609 0.77 MDM2 (0.62) KDM4EALDH1A1GAAGLAL3MBTL1

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