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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5791245

COc1ccc(CC(=O)N(CC(C)C)Nc2nc(C#N)ncc2C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.41
▸ CTSL P07711 3/20 0.41
▸ CTSK P43235 2/20 0.38
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ GRM2 Q14416 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
Trifluoroacetic Acid SCHEMBL5792187 0.80 CTSS (0.41) CTSSCTSLCTSKMAPK8MAPK9
SCHEMBL5792194 0.75 CXCR3 (0.37) —
SCHEMBL8270512 0.73 CTSS (0.45) CTSSCTSLCTSKMAPK8MAPK9
SCHEMBL8245232 0.69 CTSL (0.44) CTSSCTSLCTSKMAPK8MAPK9
Trifluoroacetic Acid SCHEMBL5791860 0.68 CTSS (0.36) CTSSCTSKMAPK8MAPK9GPR6
SCHEMBL5808749 0.68 CACNA1G (0.37) CTSSCTSLCTSK
Trifluoroacetic Acid SCHEMBL5794182 0.67 CTSL (0.41) CTSSCTSLCTSKLMNA
SCHEMBL8243088 0.67 CTSL (0.46) CTSSCTSLCTSKMAPK8MAPK9
SCHEMBL8243947 0.67 CTSL (0.56) CTSSCTSLCTSKMAPK8MAPK9
Trifluoroacetic Acid SCHEMBL5808906 0.67 HRH4 (0.34) CTSSCTSK

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO disclosed