SCHEMBL9766070

SCHEMBL9766070

COC(=O)Cc1cc(=O)[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GLA P06280 4/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.43
SMYD3 Q9H7B4 1/20 0.43
TNKS2 Q9H2K2 2/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL9159365 0.85 KDM4E (0.49) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL9157138 0.84 EGFR (0.44) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL1776571 0.83 TSHR (0.52) KDM4EALDH1A1HPGDSMYD3TNKS2
SCHEMBL9766046 0.82 L3MBTL1 (0.56) KDM4EALDH1A1HPGDGAATNKS2
SCHEMBL28836424 0.81 GPR84 (0.58) ALDH1A1KMT2AMEN1
SCHEMBL16510780 0.78 LMNA (0.43) KDM4EALDH1A1HPGDGAASMYD3
SCHEMBL9156787 0.77 ALDH1A1 (0.50) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL8369457 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL1774421 0.76 FEN1 (0.45) KDM4EALDH1A1HPGDSMYD3TNKS2
SCHEMBL4118331 0.75 TNKS2 (0.46) PARP1KDM4EALDH1A1HPGDSMYD3

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
US-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed