SCHEMBL7709472

SCHEMBL7709472

O=C1c2cc([N+](=O)[O-])cc3c(N4CCCC4)c(Cl)cc(c23)C(=O)N1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 8/20 0.37
POLB P06746 4/20 0.37
CYP1A2 P05177 3/20 0.37
ERCC1 P07992 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PABPC1 P11940 1/20 0.37
S1PR1 P21453 1/20 0.37
RAD52 P43351 1/20 0.37
RECQL P46063 1/20 0.37
PAX8 Q06710 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
SCHEMBL7703758 0.87 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7703730 0.82 ALDH1A1 (0.36) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL7706867 0.81 MEN1 (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7709502 0.80 POLB (0.40) MEN1KMT2AMAPTPOLBCYP1A2
SCHEMBL7708955 0.71 ALDH1A1 (0.47) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL7709452 0.70 MEN1 (0.58) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL30781599 0.65 PTPRC (0.58) MAPTTDP1ALDH1A1ACHECYP3A4
SCHEMBL3202418 0.65 PTPRC (0.58) MAPTTDP1ALDH1A1ACHECYP3A4
SCHEMBL7709649 0.64 MAPT (0.42) MEN1KMT2ARAB9ANPC1MAPT
Potassium SCHEMBL30889113 0.64 PTPRC (0.56) MAPTTDP1ALDH1A1ACHECYP3A4

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 6 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-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 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