SCHEMBL7709865

SCHEMBL7709865

CC(C)(C)ON1C(=O)c2ccc(Cl)c3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
FTO Q9C0B1 2/20 0.35
PABPC1 P11940 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.35
ERCC1 P07992 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CASP6 P55212 2/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL7703748 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EFTOPABPC1LMNA
SCHEMBL7703730 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDPABPC1LMNA
SCHEMBL7703689 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPABPC1LMNA
SCHEMBL7703381 0.76 BCHE (0.39) ALDH1A1HPGDPABPC1LMNAPOLB
SCHEMBL7703729 0.75 MEN1 (0.44) ALDH1A1KDM4EHPGDPABPC1LMNA
SCHEMBL7709389 0.71 TYMS (0.55) ALDH1A1TDP1CYP1A2HSD17B10PTPRC
SCHEMBL7709480 0.69 ALDH1A1 (0.62) ALDH1A1HPGDPABPC1LMNAPOLB
SCHEMBL7703715 0.64 TERT (0.37) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL7709632 0.64 CYP1B1 (0.58) ALDH1A1KDM4EPABPC1LMNAPOLB
SCHEMBL13495360 0.63 FTO (0.61) ALDH1A1KDM4EHPGDFTOPABPC1

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 4 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 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