SCHEMBL9526844

SCHEMBL9526844

CCCOc1cc(-c2ccc(C#N)c(=O)[nH]2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 2/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
AR P10275 2/20 0.41
MAPT P10636 1/20 0.41
XDH P47989 1/20 0.41
PDE4A P27815 2/20 0.41
PIM1 P11309 2/20 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
SCHEMBL9701460 0.94 ALDH1A1 (0.52) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701620 0.91 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701530 0.88 KDM4E (0.65) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701927 0.86 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9524533 0.85 KDM4E (0.54) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701458 0.84 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701461 0.84 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700696 0.84 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701626 0.82 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL11174883 0.82 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1

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