SCHEMBL6824499

SCHEMBL6824499

CSC(CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.62
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
TP53BP1 Q12888 1/20 0.51
NPC1 O15118 1/20 0.50
GPR139 Q6DWJ6 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DDR1 Q08345 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TACR1 P25103 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6444761 0.90 POLB (0.53) CTSLALDH1A1POLBTP53BP1NPC1
SCHEMBL27457044 0.84 POLB (0.68) CTSLALDH1A1POLBTP53BP1GPR139
SCHEMBL6446641 0.83 CTSL (0.64) CTSLALDH1A1POLBTP53BP1NPC1
SCHEMBL6446138 0.83 CTSL (0.61) CTSLALDH1A1POLBTP53BP1NPC1
SCHEMBL6447899 0.83 CTSL (0.54) CTSLNPC1
SCHEMBL5534199 0.82 CTSL (0.53) CTSL
SCHEMBL6021400 0.81 CTSL (0.77) CTSLNPSR1TAS1R3TAS1R1
SCHEMBL6822952 0.81 CTSL (0.61) CTSLALDH1A1POLBTP53BP1NPC1
SCHEMBL6442984 0.81 CTSL (0.49) CTSL
SCHEMBL6446794 0.79 CTSL (0.58) CTSLALDH1A1POLBNPC1GPR139

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-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed