SCHEMBL7709467

SCHEMBL7709467

CCCCNC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.43
FTO Q9C0B1 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 2/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK8 P49336 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7706813 0.93 MAPT (0.48) EPHX1MEN1KMT2ARXFP1ERCC1
SCHEMBL7703767 0.82 ERCC1 (0.54) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL14557208 0.75 KLK7 (0.57) MEN1KMT2ARXFP1ALDH1A1HTT
SCHEMBL5457321 0.73 FTO (0.66) MEN1KMT2ARXFP1ALDH1A1HTT
SCHEMBL14424451 0.72 EPHX1 (0.89) EPHX1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL19872906 0.70 MEN1 (0.53) MEN1KMT2ARXFP1ALDH1A1HTT
SCHEMBL13829158 0.70 ERCC1 (0.50) MEN1KMT2ARXFP1ERCC1FEN1
SCHEMBL13327255 0.69 TDP1 (0.59) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL7703367 0.69 ERCC1 (0.70) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL29713417 0.69 ERCC1 (0.49) MEN1KMT2ARXFP1ERCC1FEN1

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-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed