SCHEMBL7747822

SCHEMBL7747822

Cc1cccc(CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.46
RECQL P46063 1/20 0.45
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL6921729 0.85 MEN1 (0.48) GAATDP1ALDH1A1RECQLCYP1A2
SCHEMBL7751846 0.78 HSD17B10 (0.60) GAAALDH1A1RECQLCYP1A2MEN1
SCHEMBL9447444 0.78 PKM (0.61) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL15470593 0.76 RECQL (0.47) GAATDP1ALDH1A1RECQLCYP1A2
SCHEMBL12497305 0.76 TDP1 (0.43) GAATDP1ALDH1A1RECQL
SCHEMBL1072206 0.74 ALDH1A1 (0.58) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL22326350 0.74 GAA (0.88) GAATDP1ALDH1A1RECQLCYP1A2
SCHEMBL3066754 0.72 GAA (0.65) GAATDP1ALDH1A1RECQLCYP1A2
SCHEMBL10815825 0.71 GAA (0.51) GAATDP1ALDH1A1RECQLCYP1A2
SCHEMBL6625137 0.71 GAA (0.69) GAATDP1ALDH1A1RECQLCYP1A2

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-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed