SCHEMBL7709769

SCHEMBL7709769

O=C1c2cccc3cc(OS(=O)(=O)C(F)(F)F)cc(c23)C(=O)N1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.53
FEN1 P39748 2/20 0.53
ERCC4 Q92889 2/20 0.53
RAD52 P43351 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
MPO P05164 1/20 0.39
CLTC Q00610 5/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
SMARCA2 P51531 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL7706723 0.80 TYMS (0.49)
SCHEMBL7709804 0.78 ERCC1 (0.62) ERCC1FEN1ERCC4RAD52MAPT
Trifluoromethanesulfonic Acid SCHEMBL51719 0.78 ERCC1 (0.71) ERCC1FEN1ERCC4MAPTKMT2A
SCHEMBL21972544 0.76 KDM4E (0.44) ERCC1FEN1ERCC4RAD52MAPT
SCHEMBL26068498 0.76 KDM4E (0.42) RAD52MAPTKMT2AKDM4EALDH1A1
SCHEMBL7706739 0.75 ERCC1 (0.57) ERCC1FEN1ERCC4RAD52MAPT
SCHEMBL7706742 0.74 ERCC1 (0.70) ERCC1FEN1ERCC4MAPTKMT2A
SCHEMBL17617803 0.74 KDM4E (0.45) RAD52MAPTKMT2AKDM4EALDH1A1
SCHEMBL7709925 0.74 ERCC1 (0.55) ERCC1FEN1ERCC4RAD52MAPT
SCHEMBL7709966 0.73 ERCC1 (0.51) ERCC1FEN1ERCC4RAD52MAPT

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 7 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
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP claimed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO 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