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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6058261

Cc1cc(C)c(NC(=O)c2cc(C)c3nc(N)sc3c2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.59

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 18/20 0.59
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6057857 0.92 LCK (0.68) LCKHSD17B10
Trifluoroacetic Acid SCHEMBL6058339 0.89 LCK (0.54) LCKHSD17B10
Trifluoroacetic Acid SCHEMBL6058322 0.84 LCK (0.85) LCKHSD17B10
SCHEMBL6057837 0.80 LCK (0.61) LCKHSD17B10
SCHEMBL6057744 0.79 LCK (0.74) LCK
SCHEMBL7622222 0.76 LCK (0.60) LCK
SCHEMBL6057883 0.75 LCK (1.00) LCKHSD17B10
SCHEMBL26962466 0.74 HSD17B10 (0.60) LCKHSD17B10
SCHEMBL771512 0.71 LCK (0.70) LCK
SCHEMBL6058096 0.71 HSD17B10 (0.55) LCKHSD17B10

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
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 — — EP claimed