SCHEMBL7584637

SCHEMBL7584637

N=C(c1cc2cc([N+](=O)[O-])ccc2o1)N(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
ACHE P22303 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP24A1 Q07973 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
PSMD14 O00487 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7588263 0.88 POLB (0.53) F12MEN1KMT2AMAOBMAOA
SCHEMBL7588230 0.79 FLT3 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7588083 0.78 BCAT1 (0.45) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL654558 0.76 MAOA (0.67) F12MEN1KMT2AMAOBMAOA
SCHEMBL30100149 0.76 MAOA (0.67) F12MEN1KMT2AMAOBMAOA
SCHEMBL27874658 0.76 RAB9A (0.61) F12MEN1KMT2AMAOBMAOA
SCHEMBL5867051 0.75 F12 (0.72) F12MEN1KMT2AMAOBMAOA
SCHEMBL7587322 0.75 BCAT1 (0.48) MAOBNPC1RAB9ACA12CA9
SCHEMBL4001852 0.73 POLB (0.69) F12MEN1KMT2AMAOBMAOA
SCHEMBL5867017 0.72 F12 (0.58) F12MEN1KMT2AMAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed