Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208897

NC(=O)c1nc2ccccc2s1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RBP4 P02753 1/20 0.35
LIMK1 P53667 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
LMNA P02545 2/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 1/20 0.32
CMA1 P23946 2/20 0.32
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
Trifluoroacetic Acid SCHEMBL5211180 0.89 NPC1 (0.39) F2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5207728 0.84 NPC1 (0.43) F2NPC1RAB9ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL6998476 0.83 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
Trifluoroacetic Acid SCHEMBL5209105 0.81 TP53 (0.38) F2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6996710 0.80 NPC1 (0.43) F2NPC1RAB9ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL5210737 0.80 F2 (0.38) F2MAPTPRSS1CACNA1HCACNA1B
Trifluoroacetic Acid SCHEMBL5207907 0.79 MAPT (0.43) F2NPC1RAB9ALMNAMAPT
Trifluoroacetic Acid SCHEMBL5208466 0.79 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5204087 0.78 LMNA (0.37) F2LMNAMAPTPRSS1TPSAB1
Trifluoroacetic Acid SCHEMBL5208806 0.78 MAPT (0.37) F2NPC1RAB9AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed