SCHEMBL2944429

SCHEMBL2944429

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HTR2A P28223 1/20 0.34
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL9168542 1.00 RAB9A (0.35) RAB9APOLBSMN1; SMN2TDP1TSHR
SCHEMBL10790770 1.00 RAB9A (0.35) RAB9APOLBSMN1; SMN2TDP1TSHR
SCHEMBL10759407 0.92 RAB9A (0.35) RAB9APOLBSMN1; SMN2TDP1HTT
SCHEMBL10493918 0.85 ALDH1A1 (0.37) RAB9APOLBSMN1; SMN2HTTHTR2A
SCHEMBL9159892 0.84 ALDH1A1 (0.33) POLBSMN1; SMN2HTTHTR2A
SCHEMBL9670137 0.83 ALDH1A1 (0.39) RAB9APOLBSMN1; SMN2TDP1HTT
SCHEMBL10787318 0.83 ALDH1A1 (0.32) POLBSMN1; SMN2HTTHTR2A
SCHEMBL10563443 0.82 ALDH1A1 (0.34) POLBSMN1; SMN2HTTHTR2A
SCHEMBL10556308 0.82 HTR2A (0.39) RAB9APOLBSMN1; SMN2HTTHTR2A
SCHEMBL11096936 0.82 HTR2A (0.39) RAB9APOLBSMN1; SMN2HTTHTR2A

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
EP-1670806-B9 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-06-02 EP disclosed
EP-1670806-B1 PROCESS FOR PREPARATION OF ESTERS OF 2-DIAZO-3-TRIMETHYLSILYLOXY-3-BUTENOIC ACID RANBAXY LAB LTD (IN) 2010-01-06 EP disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed