SCHEMBL7706705

SCHEMBL7706705

Cc1cc2c3c(ccc([N+](=O)[O-])c3c1)C(=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
PABPC1 P11940 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 4/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 4/20 0.40
ACHE P22303 2/20 0.40
AHR P35869 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 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
SCHEMBL5142990 0.84 ALDH1A1 (0.57) MEN1KMT2ARAB9ANPSR1LMNA
SCHEMBL7703726 0.82 S100A4 (0.44) MEN1KMT2ARAB9ANPSR1LMNA
SCHEMBL1892650 0.80 MEN1 (0.65) MEN1KMT2ARAB9ANPSR1LMNA
SCHEMBL30582767 0.80 MEN1 (0.65) MEN1KMT2ARAB9ANPSR1LMNA
SCHEMBL4150369 0.76 BCHE (0.68) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL29665023 0.71 TYMS (0.44) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL4084412 0.71 TYMS (0.44) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL7709612 0.71 TYMS (0.51) MEN1KMT2ARAB9ANPSR1LMNA
SCHEMBL7709651 0.71 BCHE (0.47) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL6390637 0.71 TYMS (0.38) MEN1KMT2AMAPTALDH1A1CYP3A4

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