SCHEMBL9701871

SCHEMBL9701871

N#Cc1ccc(-c2cccc(OCc3ccccc3)c2)[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAOB P27338 1/20 0.54
BRD4 O60885 1/20 0.47
IMPDH2 P12268 1/20 0.46
MDM2 Q00987 1/20 0.46
NR4A2 P43354 1/20 0.45
DPYD Q12882 1/20 0.45
CDC7 O00311 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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 0.84 KDM4E (0.74) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700707 0.82 KDM4E (0.71) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701544 0.81 KDM4E (0.70) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9525492 0.81 KDM4E (0.66) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526447 0.80 GAA (1.00) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL4474609 0.77 MDM2 (0.62) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700710 0.77 KDM4E (0.64) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9702632 0.77 XDH (0.48) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9702637 0.77 XDH (0.48) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700724 0.76 KDM4E (0.66) 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 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