Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4408558

NCCNCc1ccc2ncn(-c3cc(OCCc4ccccc4Cl)c(C(N)=O)s3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.54
PLK3 Q9H4B4 4/20 0.51
MAP4K4 O95819 2/20 0.49
CSF1R P07333 2/20 0.49
KDR P35968 2/20 0.49
NEK2 P51955 2/20 0.49
LIMK1 P53667 2/20 0.49
STK3 Q13188 2/20 0.49
DYRK1A Q13627 2/20 0.49
BRSK1 Q8TDC3 2/20 0.49
SLK Q9H2G2 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
PIM1 P11309 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
CAMK1 Q14012 1/20 0.49
PKN2 Q16513 1/20 0.49
HIPK4 Q8NE63 1/20 0.49

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 SCHEMBL5003083 0.85 PLK1 (0.65) PLK1PLK3KDRNEK2SLK
SCHEMBL14029665 0.79 PLK1 (0.71) PLK1PLK3KDRNEK2SLK
Trifluoroacetic Acid SCHEMBL5003812 0.79 PLK1 (0.64) PLK1PLK3KDRNEK2SLK
SCHEMBL6214432 0.77 PLK1 (0.84) PLK1PLK3MAP4K4CSF1RKDR
SCHEMBL6214929 0.76 PLK1 (0.68) PLK1PLK3MAP4K4CSF1RKDR
SCHEMBL6210332 0.75 PLK1 (0.56) PLK1PLK3NEK2
Trifluoroacetic Acid SCHEMBL4405442 0.74 PLK1 (0.66) PLK1PLK3KDRNEK2SLK
Trifluoroacetic Acid SCHEMBL4999376 0.74 PLK1 (0.63) PLK1PLK3KDRNEK2SLK
SCHEMBL14029654 0.74 PLK1 (0.69) PLK1PLK3KDRNEK2PIM1
Trifluoroacetic Acid SCHEMBL4398141 0.73 PLK1 (0.64) PLK1PLK3KDRNEK2SLK

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-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed