Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5204823

NC(=O)c1sc2c(c1C(=O)NCc1cccnc1)CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 6/20 0.48
MGAM O43451 8/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 6/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RORC P51449 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
FLT3 P36888 1/20 0.39

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 SCHEMBL5207372 0.93 RORC (0.47) AMY1AMGAMMAPTRORCKMT2A
Trifluoroacetic Acid SCHEMBL5204002 0.87 FLT3 (0.38) ALDH1A1KDM4EPOLBMAPTHSD17B10
Trifluoroacetic Acid SCHEMBL5210994 0.87 MAPT (0.43) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5209718 0.87 FLT3 (0.39) ALDH1A1KDM4EPOLBMAPTHPGD
Trifluoroacetic Acid SCHEMBL5205740 0.87 RORC (0.38) AMY1AMGAMALDH1A1POLBMAPT
Trifluoroacetic Acid SCHEMBL5205660 0.87 RORC (0.38) AMY1AMGAMALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL5211954 0.86 FLT3 (0.37) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5280152 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTP53HPGD
Trifluoroacetic Acid SCHEMBL5208332 0.84 FLT3 (0.35) ALDH1A1KDM4EPOLBMAPTHPGD
Trifluoroacetic Acid SCHEMBL5628234 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTP53HPGD

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