SCHEMBL9203897

SCHEMBL9203897

O=C1NC(C(=O)NCCO[N+](=O)[O-])C(c2cccs2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2B P29275 1/20 0.32
PKM P14618 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 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) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL9214831 0.81 KMT2A (0.37) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL7854234 0.79 CYP2C9 (0.37) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL9205414 0.79 MAPT (0.38) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL9210547 0.76 MEN1 (0.36) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL7864360 0.76 MEN1 (0.38) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL9212615 0.71 KDM4E (0.41) KMT2AHSD17B10MEN1L3MBTL1HTT
SCHEMBL9322790 0.71 CYP2D6 (0.42) KMT2AHSD17B10MEN1CYP2C9ALOX15
SCHEMBL30718533 0.70 KDM4E (0.40) KMT2AHSD17B10MEN1L3MBTL1HTT
SCHEMBL9206117 0.69 MEN1 (0.38) KMT2AHSD17B10MEN1CYP2C9ALOX15

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