SCHEMBL7709966

SCHEMBL7709966

O=C(O)CCOc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.51
FEN1 P39748 1/20 0.51
ERCC4 Q92889 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALOX15 P16050 1/20 0.45
RAD52 P43351 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL7709925 0.86 ERCC1 (0.55) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL28870673 0.84 ERCC1 (0.53) ERCC1FEN1ERCC4KMT2AKDM4E
SCHEMBL7709479 0.83 TDP1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7706696 0.83 RXFP1 (0.54) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL7706739 0.82 ERCC1 (0.57) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL7709551 0.81 ERCC1 (0.50) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL13829105 0.81 ERCC1 (0.50) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL13829160 0.81 ERCC1 (0.49) ERCC1FEN1ERCC4KMT2AKDM4E
SCHEMBL7709804 0.77 ERCC1 (0.62) ERCC1FEN1ERCC4MEN1KMT2A
SCHEMBL7709769 0.73 ERCC1 (0.53) ERCC1FEN1ERCC4MEN1KMT2A

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