SCHEMBL14423946

SCHEMBL14423946

CCC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
POLB P06746 1/20 0.57
MAOB P27338 6/20 0.55
MAOA P21397 2/20 0.55
KMT2A Q03164 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
F12 P00748 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
XDH P47989 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL24885803 0.87 POLB (0.56) CA12CA9POLBMAOBMAOA
SCHEMBL30078219 0.87 POLB (0.56) CA12CA9POLBMAOBMAOA
SCHEMBL31290976 0.85 CA12 (0.68) CA12CA9POLBMAOBMAOA
SCHEMBL3488219 0.85 CA12 (0.68) CA12CA9POLBMAOBMAOA
SCHEMBL6239637 0.84 POLB (0.58) CA12CA9POLBMAOBMAOA
SCHEMBL29592689 0.83 POLB (0.52) CA12CA9POLBMAOBMAOA
SCHEMBL2249264 0.83 POLB (0.52) CA12CA9POLBMAOBMAOA
SCHEMBL30100149 0.83 MAOA (0.67) CA12CA9POLBMAOBMAOA
SCHEMBL654558 0.83 MAOA (0.67) CA12CA9POLBMAOBMAOA
SCHEMBL4001852 0.83 POLB (0.69) CA12CA9POLBMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed