SCHEMBL8713312

SCHEMBL8713312

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
L3MBTL1 Q9Y468 1/20 0.81
KDM4E B2RXH2 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 2/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
AHR P35869 1/20 0.70
CYP1A1 P04798 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP1B1 Q16678 1/20 0.65
MAPT P10636 6/20 0.65
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
GAA P10253 2/20 0.62
HTT P42858 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
MAPK1 P28482 1/20 0.60
PKM P14618 1/20 0.60

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
SCHEMBL4254980 0.90 TP53 (0.75) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL31680510 0.88 SMN1; SMN2 (0.88) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL24711273 0.86 LMNA (0.86) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL28589695 0.85 ALDH1A1 (0.69) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL18416918 0.85 HTT (0.68) MEN1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL7245504 0.84 MAPT (0.69) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL28590005 0.84 MEN1 (0.70) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL28579658 0.84 KMT2A (0.67) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL28577326 0.84 KCNMA1 (0.71) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL29886513 0.83 EPHX1 (0.78) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2

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
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed