Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7384671

COc1ccc2ccc(S(=O)(=O)N[C@@]3(Cc4cccc5nc(N)ccc45)CCNC3=O)cc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.37
RAPGEF3 O95398 1/20 0.37
F2 P00734 5/20 0.35
PRSS1 P07477 4/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
F10 P00742 3/20 0.34
GSR P00390 3/20 0.34
ADAM17 P78536 1/20 0.34
HPGDS O60760 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7374889 0.89 NOS1 (0.46) NOS1RAPGEF3F2PRSS1F10
Trifluoroacetic Acid SCHEMBL7375571 0.84 ALDH1A1 (0.34) NOS1F2MTNR1AMTNR1BF10
Trifluoroacetic Acid SCHEMBL7385566 0.81 RAPGEF3 (0.35) RAPGEF3F2PRSS1F10HPGDS
Trifluoroacetic Acid SCHEMBL7375646 0.81 RAPGEF3 (0.35) RAPGEF3F2PRSS1F10HPGDS
SCHEMBL7382892 0.81 NCF1 (0.43) RAPGEF3F2PRSS1F10HPGDS
Trifluoroacetic Acid SCHEMBL7471306 0.80 F2 (0.41) RAPGEF3F2PRSS1F10HPGDS
Trifluoroacetic Acid SCHEMBL7369846 0.76 CYBB (0.34)
Trifluoroacetic Acid SCHEMBL7424271 0.76 F10 (0.49) F2F10
Trifluoroacetic Acid SCHEMBL7417460 0.75 F10 (0.60) F2PRSS1F10
SCHEMBL7384883 0.74 F10 (0.40) RAPGEF3F2F10

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 claimed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP claimed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO claimed