Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7471306

COc1ccc2ccc(S(=O)(=O)N[C@]3(Cc4cc5c(N)ncnc5s4)CCNC3=O)cc2c1.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
F2 P00734 11/20 0.41
PRSS1 P07477 9/20 0.41
F10 P00742 4/20 0.37
RAPGEF3 O95398 1/20 0.35
KLK6 Q92876 1/20 0.33
HPGDS O60760 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F12 P00748 1/20 0.32

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
SCHEMBL7382013 0.85 F2 (0.36) F2PRSS1F10RAPGEF3KLK6
Trifluoroacetic Acid SCHEMBL7384671 0.80 NOS1 (0.37) F2PRSS1F10RAPGEF3HPGDS
Trifluoroacetic Acid SCHEMBL7374889 0.79 NOS1 (0.46) F2PRSS1F10RAPGEF3HPGDS
Trifluoroacetic Acid SCHEMBL7385566 0.78 RAPGEF3 (0.35) F2PRSS1F10RAPGEF3HPGDS
Trifluoroacetic Acid SCHEMBL7541207 0.76 F10 (0.60) F2PRSS1F10KLK6
Trifluoroacetic Acid SCHEMBL7375646 0.76 RAPGEF3 (0.35) F2PRSS1F10RAPGEF3HPGDS
SCHEMBL2364436 0.74 F10 (0.38) F2PRSS1F10RAPGEF3KLK6
SCHEMBL7384883 0.72 F10 (0.40) F2F10RAPGEF3MEN1KMT2A
SCHEMBL7382892 0.71 NCF1 (0.43) F2PRSS1F10RAPGEF3HPGDS
SCHEMBL7381947 0.70 MEN1 (0.35) F2F10RAPGEF3HPGDSMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed