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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2384922

Nc1cc(COc2nsnc2N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.42
▸ MAPK10 P53779 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KIT P10721 2/20 0.39
▸ NR2E1 Q9Y466 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2385310 0.97 TRPV1 (0.44) TRPV1MAPK10PDGFRBKITNR2E1
SCHEMBL5572976 0.88 TRPV1 (0.44) TRPV1MAPK10LMNAHTTPDGFRB
SCHEMBL2382754 0.88 TRPV1 (0.45) TRPV1MAPK10LMNAHTTMAPT
SCHEMBL5572916 0.87 TRPV1 (0.45) TRPV1MAPK10LMNAHTTPDGFRB
SCHEMBL2382942 0.87 TRPV1 (0.47) TRPV1MAPK10LMNAMAPTNR2E1
SCHEMBL2384714 0.87 TRPV1 (0.44) TRPV1MAPK10LMNAHTTPDGFRB
SCHEMBL2382772 0.87 TRPV1 (0.49) TRPV1MAPK10PDGFRBKITNR2E1
SCHEMBL2384046 0.86 TRPV1 (0.45) TRPV1MAPK10LMNAHTTMAPT
SCHEMBL2421551 0.86 TRPV1 (0.43) TRPV1MAPK10PDGFRBNR2E1NPSR1
SCHEMBL2386074 0.85 MAPK10 (0.47) TRPV1MAPK10LMNAHTTMAPT

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
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed