SCHEMBL19969082

SCHEMBL19969082

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(S)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.51
CTSK P43235 13/20 0.51
CTSB P07858 4/20 0.50
CTSL P07711 3/20 0.50
CTSC P53634 4/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL21013700 0.88 CTSK (0.52) CTSSCTSKCTSBCTSLCTSC
SCHEMBL20415718 0.87 CTSC (0.58) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2617400 0.87 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2074401 0.87 CTSS (0.51) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2074403 0.87 CTSS (0.51) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2329795 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL2329798 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLCTSC
SCHEMBL28562312 0.86 CTSK (0.50) CTSSCTSKCTSBCTSLCTSC
SCHEMBL18262402 0.86 CTSS (0.53) CTSSCTSKCTSBCTSLCTSC
SCHEMBL28912771 0.86 CTSL (0.53) CTSSCTSKCTSBCTSLCTSC

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-2018047139-A1 COMPOUNDS AS MODULATORS OF TIGIT SIGNALLING PATHWAY AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed