SCHEMBL7706696

SCHEMBL7706696

CC(=O)OCCOc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RAD52 P43351 1/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
NFKB2 Q00653 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
SCHEMBL28870673 0.86 ERCC1 (0.53) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL13829105 0.84 ERCC1 (0.50) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL7709925 0.84 ERCC1 (0.55) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL13829160 0.83 ERCC1 (0.49) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL7709966 0.83 ERCC1 (0.51) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL7709650 0.83 RXFP1 (0.47) RXFP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL7706739 0.82 ERCC1 (0.57) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL7709551 0.82 ERCC1 (0.50) RXFP1ERCC1FEN1ERCC4KMT2A
SCHEMBL7709804 0.78 ERCC1 (0.62) ERCC1FEN1ERCC4KMT2AKDM4E
SCHEMBL22972089 0.74 ERCC1 (0.47) RXFP1ERCC1FEN1ERCC4KMT2A

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 5 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
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed