SCHEMBL7709804

SCHEMBL7709804

COc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.62
FEN1 P39748 2/20 0.62
ERCC4 Q92889 2/20 0.62
RAD52 P43351 1/20 0.60
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
PABPC1 P11940 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
SMARCA2 P51531 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CLTC Q00610 1/20 0.46
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL8461080 0.86 KMT2A (0.55) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL13495348 0.85 RAD52 (0.60) RAD52KMT2AKDM4EALDH1A1MAPT
SCHEMBL7706739 0.84 ERCC1 (0.57) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL28870673 0.84 ERCC1 (0.53) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL7703367 0.81 ERCC1 (0.70) ERCC1FEN1ERCC4KMT2AKDM4E
SCHEMBL13829160 0.81 ERCC1 (0.49) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL7709925 0.80 ERCC1 (0.55) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL7709551 0.79 ERCC1 (0.50) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL13829105 0.79 ERCC1 (0.50) ERCC1FEN1ERCC4RAD52KMT2A
SCHEMBL7709769 0.78 ERCC1 (0.53) ERCC1FEN1ERCC4RAD52KMT2A

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 3 patents. 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
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed