SCHEMBL3459035

SCHEMBL3459035

C#CNC(=O)C(NC(C)=O)C(Cc1ccccc1)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
PPM1B O75688 2/20 0.44
CTRB1 P17538 5/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN9A Q15858 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL901287 0.80 CTRB1 (0.49) CTSSCTSKPPM1BCTRB1CA12
SCHEMBL3459188 0.80 POLB (0.52) CTSSCTSKPPM1BCTRB1CA12
SCHEMBL15929820 0.73 CTRB1 (0.50) CTSSCTSKPPM1BCTRB1CA12
SCHEMBL15929863 0.68 CPA1 (0.49) CTRB1
SCHEMBL18204442 0.67 CTRB1 (0.60) CTSSCTSKCTRB1LMNAPAM
SCHEMBL15671356 0.67 TRPM8 (0.50) MEN1MAPTKMT2AL3MBTL1
SCHEMBL1884230 0.66 ATM (0.68) CTSSCTSKPOLBL3MBTL1LMNA
SCHEMBL9586118 0.66 CTRB1 (0.55) CTSSCTSKCTRB1LMNAPAM
SCHEMBL1879654 0.66 ATM (0.68) CTSSCTSKPOLBL3MBTL1LMNA
SCHEMBL803579 0.66 ATM (0.68) CTSSCTSKPOLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010148300-A1 METHODS OF TREATMENT OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-12-23 WO disclosed