SCHEMBL8941902

SCHEMBL8941902

O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnoc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
DHODH Q02127 3/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MITF O75030 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
P4HTM Q9NXG6 1/20 0.44
EPHX1 P07099 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 1/20 0.43
CRACR2A Q9BSW2 1/20 0.43

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
SCHEMBL8063449 0.80 DHODH (0.73) DHODHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9564642 0.80 RAB9A (0.62) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8061153 0.79 DHODH (0.74) DHODHNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8808712 0.79 MAPT (0.52) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8813080 0.77 MAPT (0.49) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8493690 0.75 KMT2A (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8045714 0.75 RAB9A (0.47) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8057748 0.74 RAB9A (0.53) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8045733 0.72 CRACR2A (0.51) DHODHNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8493536 0.71 LMNA (0.36) NPC1RAB9ASMN1; SMN2POLBMEN1

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-5476866-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-12-19 US claimed
EP-0646578-A1 Phenyl carboxamide-isoxazole-derivatives and salts, process for their preparation, their use as pharmaceuticals, and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-04-05 EP claimed
US-5506249-A ANTIINFLAMMATORY, ANTIPROLIFERATIVE AND ANTITUMOR ACTIVITY ROUSSEL UCLAF (FR) 1996-04-09 US disclosed
US-5476866-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-12-19 US disclosed
EP-0646578-A1 Phenyl carboxamide-isoxazole-derivatives and salts, process for their preparation, their use as pharmaceuticals, and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-04-05 EP disclosed