Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7376557

NC(c1ccc2ccncc2c1)[C@@]1(NS(=O)(=O)c2ccc(-c3ccncc3)s2)CCNC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
AKT1 P31749 4/20 0.32
CDK2 P24941 3/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
SGK1 O00141 1/20 0.30

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 SCHEMBL7376799 0.95 F10 (0.34) ADAMTS5F2F10
Trifluoroacetic Acid SCHEMBL7383845 0.86 F10 (0.33) MMP13AKT1F2F10
SCHEMBL7369652 0.84 F2 (0.30) MMP13F2F10
Trifluoroacetic Acid SCHEMBL7384596 0.80 ROCK2 (0.36) MMP13F2F10
Trifluoroacetic Acid SCHEMBL7376828 0.79 AKT1 (0.33) AKT1CDK2
SCHEMBL7377260 0.78 GHSR (0.36) ADAMTS5F2F10
Trifluoroacetic Acid SCHEMBL7219936 0.72 F10 (0.33) MMP13ADAMTS5F2F10
SCHEMBL7422899 0.70 HPGDS (0.34) AKT1
SCHEMBL7383670 0.68 F10 (0.41) AKT1F2F10
SCHEMBL7369928 0.67 ROCK2 (0.41) AKT1

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 6 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
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed