Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5315182

NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
CA2 P00918 4/20 0.53
ITGB3 P05106 4/20 0.50
ITGB1 P05556 4/20 0.50
ITGA5 P08648 4/20 0.50
ITGAV P06756 3/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.49
ITGB5 P18084 2/20 0.48
ITGB2 P05107 1/20 0.48
ITGB6 P18564 1/20 0.48
ITGAL P20701 1/20 0.48
PPARA Q07869 6/20 0.48
PPARG P37231 2/20 0.48
CA1 P00915 2/20 0.48
ITGA2B P08514 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL3788262 0.90 CA2 (0.62) SMN1; SMN2MAPK1CA2PTPN1PTPN11
Trifluoroacetic Acid SCHEMBL4887236 0.86 KDM4E (0.53) SMN1; SMN2CA2ITGB3ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL5309778 0.85 HPGD (0.54) SMN1; SMN2MAPK1ITGB3ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL5307840 0.82 HTR6 (0.61) CA2CA1
SCHEMBL19177180 0.81 MAPK1 (0.57) SMN1; SMN2MAPK1CA2PTPN1PTPN11
SCHEMBL28195310 0.79 PPARA (0.55) SMN1; SMN2MAPK1CA2PTPN1PTPN11
SCHEMBL6001481 0.78 PTPN1 (0.61) SMN1; SMN2MAPK1CA2PTPN1PTPN11
SCHEMBL11512611 0.76 MAPK1 (0.64) SMN1; SMN2MAPK1CA2PTPN1PTPN11
Trifluoroacetic Acid SCHEMBL5311009 0.76 ITGB3 (0.54) SMN1; SMN2MAPK1CA2ITGB3ITGB1
Trifluoroacetic Acid SCHEMBL7417053 0.75 ITGB3 (0.53) ITGB3ITGB1ITGA5ITGAVITGB5

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-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed