SCHEMBL9322790

SCHEMBL9322790

O=C1NC(c2ccccc2)C(C(=O)NCCO[N+](=O)[O-])O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRL1 P41146 1/20 0.35
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL9213071 0.84 MEN1 (0.40) CYP2D6MEN1KMT2ACYP2C9ALOX15
SCHEMBL9321008 0.79 MEN1 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9206117 0.79 MEN1 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL7864360 0.76 MEN1 (0.38) CYP2D6MEN1KMT2ACYP2C9ALOX15
SCHEMBL9213981 0.73 KMT2A (0.39) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL7854234 0.73 CYP2C9 (0.37) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9205414 0.73 MAPT (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9210547 0.72 MEN1 (0.36) CYP2D6MEN1KMT2ACYP2C9ALOX15
SCHEMBL9203897 0.71 KMT2A (0.37) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL5387737 0.70 CYP2D6 (0.52) CYP2D6MAPTGAAGRM5SMN1; 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-5356918-A Oxazolidinone compounds and method of using the same as a vasodilator SANKYO COMPANY, LTD. (JP) 1994-10-18 US disclosed
US-5298516-A Treatment of cardiovascular disorders, angina SANKYO COMPANY, LIMITED (JP) 1994-03-29 US disclosed