SCHEMBL9701575

SCHEMBL9701575

N#Cc1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.59
KDM4E B2RXH2 10/20 0.58
ALDH1A1 P00352 7/20 0.58
GAA P10253 5/20 0.58
GLA P06280 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MCL1 Q07820 3/20 0.53
ATM Q13315 1/20 0.51
HPGD P15428 3/20 0.50
GALR3 O60755 1/20 0.50
KMT2A Q03164 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MET P08581 1/20 0.42

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
SCHEMBL4474609 0.96 MDM2 (0.62) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL11737297 0.83 ERCC1 (0.57) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL11008749 0.83 MCL1 (0.51) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL7365683 0.83 KDM4E (0.51) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL11738299 0.82 MDM2 (0.47) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9536812 0.81 ALDH1A1 (0.60) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL3673913 0.80 ATM (0.53) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9701560 0.79 KDM4E (0.59) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL10985180 0.79 KDM4E (0.55) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL11736292 0.79 KDM4E (0.51) MDM2KDM4EALDH1A1GAAGLA

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