SCHEMBL9212980

SCHEMBL9212980

CC(=O)NCc1cc([N+](=O)[O-])ccc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP19A1 P11511 1/20 0.52
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
RORC P51449 1/20 0.46
NQO2 P16083 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30168169 0.87 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1RECQLHTTMAPT
SCHEMBL7122790 0.87 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1RECQLHTTMAPT
SCHEMBL28639117 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP19A1RECQLHTTMAPT
SCHEMBL7121721 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP19A1HTTMAPTNPSR1
SCHEMBL28639119 0.83 CYP19A1 (0.58) SMN1; SMN2CYP19A1HTTMAPTNPSR1
SCHEMBL29940631 0.83 CYP1A2 (0.56) SMN1; SMN2CYP19A1RECQLHTTMAPT
SCHEMBL11193465 0.82 NQO2 (0.48) SMN1; SMN2RECQLHTTMAPTKMT2A
SCHEMBL11192327 0.82 ALDH1A1 (0.50) SMN1; SMN2RECQLHTTMAPTKMT2A
SCHEMBL6675975 0.82 NQO2 (0.48) SMN1; SMN2RECQLHTTMAPTKMT2A
SCHEMBL6607465 0.82 KMT2A (0.57) KMT2ANQO2NPC1MEN1RAB9A

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
WO-1995002848-A1 MULTIFUNCTIONAL AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed