SCHEMBL9700710

SCHEMBL9700710

CCc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
GAA P10253 3/20 0.64
ALDH1A1 P00352 3/20 0.64
GLA P06280 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MDM2 Q00987 1/20 0.48
LRRK2 Q5S007 1/20 0.44
PIM1 P11309 1/20 0.44
GALR3 O60755 1/20 0.43
HPGD P15428 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
NOTUM Q6P988 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BCL2 P10415 1/20 0.38
ATM Q13315 1/20 0.38
IDO1 P14902 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL9526090 0.80 KDM4E (0.74) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11736261 0.80 KDM4E (0.60) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700724 0.80 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL7397061 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525290 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11740127 0.78 KDM4E (0.57) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700707 0.78 KDM4E (0.71) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701346 0.78 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526447 0.78 GAA (1.00) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11735164 0.78 KDM4E (0.64) 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