Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5592940

CC(C)CN(NC(=O)c1ccc(F)c(CN2CCC(N3CCOCC3)CC2)c1)c1nc(C#N)ncc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
GPR6 P46095 6/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
DDR1 Q08345 3/20 0.36
ACVR1 Q04771 3/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
CXCR3 P49682 3/20 0.35
TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL5592747 0.96 CTSL (0.52) CTSLCTSBCTSSCTSKJAK2
Trifluoroacetic Acid SCHEMBL5308534 0.91 CTSL (0.57) CTSLCTSBCTSSCTSKJAK2
Trifluoroacetic Acid SCHEMBL5593236 0.89 CTSL (0.49) CTSLCTSBCTSSCTSKACVR1
Trifluoroacetic Acid SCHEMBL5592745 0.88 CTSL (0.63) CTSLCTSBCTSSCTSKGPR6
Trifluoroacetic Acid SCHEMBL5592933 0.86 CTSL (0.56) CTSLCTSBCTSSCTSKGPR6
SCHEMBL5592623 0.86 CTSL (0.62) CTSLCTSBCTSSCTSKJAK2
SCHEMBL5592923 0.85 CTSL (0.55) CTSLCTSBCTSSCTSKGPR6
SCHEMBL8243445 0.85 CTSL (0.55) CTSLCTSBCTSSCTSKGPR6
SCHEMBL8245197 0.83 CTSL (0.68) CTSLCTSBCTSSCTSKGPR6
Trifluoroacetic Acid SCHEMBL5591222 0.83 CTSL (0.43) CTSLCTSBCTSSCTSKGPR6

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-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed