SCHEMBL9168536

SCHEMBL9168536

C[C@@H](O)[C@@H]1C(=O)N[C@@H]1CC(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10556308 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11096936 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10345757 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10346269 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2944428 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11356813 1.00 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10672216 0.92 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL10346611 0.92 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL9509407 0.92 HTR2A (0.39) HTR2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL9728086 0.89 HTR2A (0.41) HTR2APOLBSMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3184954-A None JP disclosed
EP-0414904-B1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI CHEMICAL IND (JP) 1995-03-29 EP disclosed
JP-H03184954-A SYNTHESIS INTERMEDIATE FOR THIENAMYCIN AND ITS PRODUCTION MERCK & CO INC 1991-08-12 JP disclosed