SCHEMBL9564642

SCHEMBL9564642

Cc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
MAOA P21397 2/20 0.62
GMNN O75496 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
THRB P10828 1/20 0.62
PIM1 P11309 1/20 0.62
CYP2C9 P11712 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
AGTR1 P30556 1/20 0.62
CCKBR P32239 1/20 0.62
MC4R P32245 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL8813080 0.83 MAPT (0.49) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL6230239 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL19376893 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL19402543 0.82 KMT2A (0.67) RAB9ASMN1; SMN2HTTLMNAMAPT
SCHEMBL8812360 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL8808712 0.81 MAPT (0.52) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL20456411 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL11441650 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL6415832 0.80 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTMAOA
SCHEMBL8941902 0.80 NAMPT (0.49) RAB9ANPC1SMN1; SMN2HTTMAOA

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
EP-0573318-A1 Phenyl carboxamide isoxazole derivatives and salts, process for their preparation and the new intermediates thereof. Their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-08 EP disclosed