SCHEMBL9214831

SCHEMBL9214831

O=C1NC(C(=O)NCCO[N+](=O)[O-])C(c2cccs2)S1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2B P29275 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9213981 0.84 KMT2A (0.39) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9203897 0.81 KMT2A (0.37) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9208837 0.81 MEN1 (0.37) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9212739 0.80 MEN1 (0.35) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9211058 0.80 CACNA1C (0.38) KMT2AMEN1CYP2C9CYP2C19MAPT
SCHEMBL9209067 0.79 MEN1 (0.52) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9272410 0.79 MEN1 (0.35) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9208945 0.78 MAPT (0.37) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9208636 0.76 MEN1 (0.36) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9205054 0.76 MEN1 (0.38) KMT2AMEN1CYP2C9ALOX15CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506434-B1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators SANKYO CO (JP) 1995-02-22 EP disclosed
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
EP-0506434-A1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators Sankyo Company Limited (JP) 1992-09-30 EP disclosed