SCHEMBL7706813

SCHEMBL7706813

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
KLK7 P49862 1/20 0.45
EPHX1 P07099 5/20 0.44
FTO Q9C0B1 1/20 0.44
TYMS P04818 1/20 0.42
CYP1B1 Q16678 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7709467 0.93 EPHX1 (0.50) MAPTERCC1FEN1ERCC4HPGD
SCHEMBL7703767 0.84 ERCC1 (0.54) MAPTERCC1FEN1ERCC4HPGD
SCHEMBL5457321 0.75 FTO (0.66) MAPTHPGDPOLBFTOCYP1A2
SCHEMBL14557208 0.72 KLK7 (0.57) MAPTHPGDPOLBKLK7FTO
SCHEMBL7703367 0.71 ERCC1 (0.70) MAPTERCC1FEN1ERCC4HPGD
SCHEMBL14423982 0.70 EPHX1 (0.79) MAPTPOLBEPHX1CYP1A2CYP2C19
SCHEMBL7703805 0.70 MPO (0.73) MAPTERCC1FEN1ERCC4HPGD
SCHEMBL7709776 0.70 KLK7 (0.53) MAPTERCC1FEN1ERCC4HPGD
SCHEMBL5123962 0.69 KDM4E (0.64) MAPTHPGDKLK7FTOCYP1B1
SCHEMBL7706739 0.69 ERCC1 (0.57) MAPTERCC1FEN1ERCC4HPGD

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