SCHEMBL9208945

SCHEMBL9208945

COc1ccc(C2SC(=O)NC2C(=O)NCCO[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
LMNA P02545 3/20 0.36
RAB9A P51151 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 2/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3A P49840 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL9212739 0.88 MEN1 (0.35) MAPTLMNARAB9AALDH1A1KMT2A
SCHEMBL9213981 0.87 KMT2A (0.39) MAPTLMNARAB9AALDH1A1KMT2A
SCHEMBL9206364 0.84 MAPT (0.40) MAPTLMNARAB9AMTNR1AMTNR1B
SCHEMBL9211058 0.81 CACNA1C (0.38) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL9205414 0.80 MAPT (0.38) MAPTLMNARAB9AMTNR1AMTNR1B
SCHEMBL9209067 0.80 MEN1 (0.52) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL9208837 0.78 MEN1 (0.37) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL9214831 0.78 KMT2A (0.37) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL9208636 0.78 MEN1 (0.36) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9272410 0.76 MEN1 (0.35) MAPTALDH1A1KMT2AMEN1CYP2C9

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 7 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 claimed
US-5298516-A Treatment of cardiovascular disorders, angina SANKYO COMPANY, LIMITED (JP) 1994-03-29 US claimed
EP-0506434-A1 Thiazolidinone and oxazolidinone derivatives, their preparation and their use as vasodilators Sankyo Company Limited (JP) 1992-09-30 EP claimed
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