Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5658623

O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccnc(NCCN3CCOCC3)n2)n[nH]c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 3/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ CXCR4 P61073 1/20 0.43
▸ APAF1 O14727 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL4855719 0.95 EIF2AK2 (0.49) EIF2AK2GSK3BCXCR4FLT3LMNA
SCHEMBL5233270 0.83 EIF2AK2 (0.47) EIF2AK2CXCR4RAF1BRAFFLT3
SCHEMBL4857088 0.82 GSK3B (0.53) GSK3BFLT3POLA1KCNH2
SCHEMBL4856852 0.79 GSK3B (0.66) GSK3BFLT3SYK
SCHEMBL4853882 0.78 GSK3B (0.55) GSK3BLMNASYK
SCHEMBL4848234 0.76 GSK3B (0.56) GSK3BRAF1BRAFLMNASYK
Trifluoroacetic Acid SCHEMBL5657525 0.73 GSK3B (0.61) GSK3BLMNA
SCHEMBL4854463 0.73 GSK3B (0.63) GSK3BL3MBTL1LMNA
SCHEMBL4854304 0.73 GSK3B (0.58) GSK3BL3MBTL1LMNASYK
SCHEMBL4847379 0.72 GSK3B (0.49) GSK3BSYK

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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
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