Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7872457

Cc1ccccc1CCNc1nc(CC(=O)NCCONC(=N)N)c(C)[nH]c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
F10 P00742 1/20 0.32
PLAT P00750 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC2A1 P11166 1/20 0.31
TPSAB1 Q15661 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
P2RX7 Q99572 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL7876299 0.94 F2 (0.40) F2PRSS1PRSS2PRSS3JAK2
Trifluoroacetic Acid SCHEMBL7874359 0.91 TPSAB1 (0.38) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7875607 0.89 F2 (0.37) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7867361 0.88 F2 (0.37) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7875999 0.88 MAPT (0.39) KDM4EALDH1A1KMT2A
SCHEMBL7876307 0.88 F2 (0.39) F2PRSS1PRSS2PRSS3JAK2
Trifluoroacetic Acid SCHEMBL7867367 0.88 F2 (0.39) F2PRSS1JAK3KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7874305 0.87 F2 (0.35) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7878630 0.86 KDM4E (0.40) F2PRSS1PRSS2PRSS3KDM4E
Trifluoroacetic Acid SCHEMBL7872481 0.86 F2 (0.45) F2PRSS1PRSS2PRSS3F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed