Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5211679

N#Cc1c(C(N)=O)sc2c1CCCC2=O.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MLYCD O95822 1/20 0.31
MEN1 O00255 2/20 0.30
NPC1 O15118 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL5203929 0.84 MAPK10 (0.41) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5204634 0.80 MAPK10 (0.36) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5209718 0.80 FLT3 (0.39) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5211954 0.79 FLT3 (0.37) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5217152 0.79 ALDH1A1 (0.37) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5208796 0.78 SMN1; SMN2 (0.35) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5628234 0.77 ALDH1A1 (0.38) MEN1NPC1KMT2AALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5214692 0.77 MAOA (0.35) OPRM1OPRD1ALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL5214259 0.77 MAOA (0.35) OPRM1OPRD1F2F10
Trifluoroacetic Acid SCHEMBL5208332 0.77 FLT3 (0.35) MEN1NPC1KMT2AALDH1A1HPGD

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