SCHEMBL9701544

SCHEMBL9701544

CCCCOc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
GAA P10253 3/20 0.70
ALDH1A1 P00352 2/20 0.70
GLA P06280 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MDM2 Q00987 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL9700707 0.94 KDM4E (0.71) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526090 0.89 KDM4E (0.74) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9528029 0.86 KDM4E (0.52) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL5097681 0.83 ALDH1A1 (0.49) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9703127 0.83 ALDH1A1 (0.57) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526447 0.82 GAA (1.00) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701393 0.81 KDM4E (0.52) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701871 0.81 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525492 0.81 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9702565 0.80 KDM4E (0.55) KDM4EGAAALDH1A1GLAL3MBTL1

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