Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3833242

CS(=O)(=O)c1ccccc1-c1cnc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.75
PRSS1 P07477 10/20 0.75
PRSS2 P07478 10/20 0.75
PRSS3 P35030 10/20 0.75
F2 P00734 9/20 0.75
F9 P00740 2/20 0.71
PROC P04070 2/20 0.71
KLK1 P06870 1/20 0.71
KLKB1 P03952 4/20 0.70
CFH P08603 1/20 0.70
CARM1 Q86X55 4/20 0.63

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
SCHEMBL3833378 0.97 F10 (0.80) F10PRSS1PRSS2PRSS3F2
SCHEMBL3832849 0.90 F2 (0.79) F10PRSS1PRSS2PRSS3F2
SCHEMBL29825652 0.83 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL3052253 0.83 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL31067656 0.83 F10 (1.00) F10PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL29377504 0.83 F10 (1.00) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL5377884 0.82 F10 (0.73) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL3831041 0.79 F2 (0.79) F10PRSS1PRSS2PRSS3F2
SCHEMBL7746996 0.79 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL3830178 0.79 F2 (0.89) F10PRSS1PRSS2PRSS3F2

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-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed