SCHEMBL7709620

SCHEMBL7709620

COc1cc2c3c(ccc([N+](=O)[O-])c3c1[N+](=O)[O-])C(=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
CHEK1 O14757 3/20 0.40
MCL1 Q07820 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL7712218 0.80 KMT2A (0.46) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL7703711 0.80 BCHE (0.46) LMNABCHEACHECES1ALDH1A1
SCHEMBL7712151 0.80 BCHE (0.46) LMNABCHEACHECES1ALDH1A1
SCHEMBL7709784 0.80 BCHE (0.46) LMNABCHEACHECES1ALDH1A1
SCHEMBL7712200 0.80 KMT2A (0.50) LMNABCHEACHECES1ALDH1A1
SCHEMBL4150369 0.78 BCHE (0.68) LMNABCHEACHECES1ALDH1A1
SCHEMBL29112032 0.75 ALDH1A1 (0.53) LMNAALDH1A1TDP1MCL1MEN1
SCHEMBL7709651 0.72 BCHE (0.47) LMNABCHEACHECES1ALDH1A1
SCHEMBL27874944 0.72 BCHE (0.59) LMNABCHEACHECES1ALDH1A1
SCHEMBL7706705 0.70 MEN1 (0.44) LMNABCHEACHECES1ALDH1A1

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