Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660194

CC(=O)NC1CCN(Cc2cnc(-c3cc4cccc(NS(=O)(=O)c5sccc5C)c4[nH]3)s2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CB P42338 5/20 0.34
PIK3CG P48736 5/20 0.34
DDR1 Q08345 6/20 0.34
SCN1A P35498 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
OGA O60502 1/20 0.33
CDK14 O94921 2/20 0.33
CCNY Q8ND76 2/20 0.33
DRD4 P21917 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL2659559 0.96 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGSCN1A
Trifluoroacetic Acid SCHEMBL2660893 0.92 DDR1 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGDDR1
Trifluoroacetic Acid SCHEMBL2660407 0.88 MEN1 (0.40) OGA
Trifluoroacetic Acid SCHEMBL2659557 0.86 SLC2A1 (0.33) OGA
Trifluoroacetic Acid SCHEMBL27763028 0.85 PDCD1 (0.34) PIK3CDPIK3CGDDR1OGACD274
Trifluoroacetic Acid SCHEMBL2659234 0.82 MEN1 (0.37) DDR1OGA
Trifluoroacetic Acid SCHEMBL2659546 0.82 NPC1 (0.35) DDR1OGA
Trifluoroacetic Acid SCHEMBL2660198 0.81 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGOGA
Trifluoroacetic Acid SCHEMBL2660948 0.81 SLC2A1 (0.32) PIK3CDOGA
Trifluoroacetic Acid SCHEMBL27763020 0.81 SLC2A1 (0.32) OGA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed