Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7376799

NC(c1ccc2ccncc2c1)[C@@]1(NS(=O)(=O)c2ccc(-c3cccnc3)s2)CCNC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.34
F2 P00734 3/20 0.34
GHSR Q92847 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
ESR1 P03372 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ESR2 Q92731 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 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 SCHEMBL7376557 0.95 MMP13 (0.33) F10F2ADAMTS5
SCHEMBL7369652 0.79 F2 (0.30) F10F2
Trifluoroacetic Acid SCHEMBL7376828 0.77 AKT1 (0.33)
SCHEMBL7422899 0.68 HPGDS (0.34)
Trifluoroacetic Acid SCHEMBL7219936 0.68 F10 (0.33) F10F2ADAMTS5
SCHEMBL7369928 0.68 ROCK2 (0.41)
SCHEMBL5491832 0.66 MKNK1 (0.48) F10F2GHSRADAMTS5MKNK1
SCHEMBL7383670 0.66 F10 (0.41) F10F2
Trifluoroacetic Acid SCHEMBL7370015 0.66 MMP2 (0.35) F10F2
SCHEMBL7373241 0.60 HPGDS (0.34)

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