Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5204002

CNC(=O)c1c(C(N)=O)sc2c1CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RORC P51449 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KIF11 P52732 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ANO1 Q5XXA6 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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 SCHEMBL5209718 0.92 FLT3 (0.39) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5207372 0.92 RORC (0.47) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5211954 0.92 FLT3 (0.37) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5280152 0.91 ALDH1A1 (0.40) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5208332 0.91 FLT3 (0.35) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5205740 0.91 RORC (0.38) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5207943 0.90 KIF11 (0.44) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5628234 0.90 ALDH1A1 (0.38) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5205660 0.89 RORC (0.38) FLT3NPC1RAB9ARORCKMT2A
Trifluoroacetic Acid SCHEMBL5207834 0.88 PDE4D (0.41) KMT2AMEN1KDM4ENPSR1ALDH1A1

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