SCHEMBL7709646

SCHEMBL7709646

O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])c(Br)cc(c23)C(=O)N1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 2/20 0.53
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
POLB P06746 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ERCC1 P07992 2/20 0.34
FEN1 P39748 2/20 0.34
ERCC4 Q92889 2/20 0.34
TLR9 Q9NR96 3/20 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
SCHEMBL7709662 0.82 KMT2A (0.69) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL7712200 0.81 KMT2A (0.50) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL7709930 0.78 KMT2A (0.60) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7703711 0.78 BCHE (0.46) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL7709407 0.70 KMT2A (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1025411 0.68 ERCC1 (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28414966 0.68 CYP1B1 (0.55) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL28421855 0.67 ACHE (0.50) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL7709580 0.66 KMT2A (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22129169 0.65 MEN1 (0.53) MEN1KMT2ANPC1RAB9ABCHE

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 5 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-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