Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2659467

CCOCCc1ccsc1S(=O)(=O)Nc1cccc2cc(-c3ncc(CN4CCCC(C(=O)O)C4)s3)[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 4/20 0.34
ADRB2 P07550 1/20 0.34
S1PR1 P21453 1/20 0.33
DDR1 Q08345 1/20 0.33
OGA O60502 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL2660327 0.93 S1PR1 (0.32) MEN1KMT2AGAAALDH1A1S1PR1
Trifluoroacetic Acid SCHEMBL2659234 0.93 MEN1 (0.37) MEN1KMT2AGAAALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2659519 0.90 NPC1 (0.33) MEN1KMT2AGAAALDH1A1DDR1
Trifluoroacetic Acid SCHEMBL2660407 0.89 MEN1 (0.40) MEN1KMT2AGAAALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2659980 0.89
Trifluoroacetic Acid SCHEMBL2661412 0.88 MEN1 (0.36) MEN1KMT2AGAAALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL27763028 0.84 PDCD1 (0.34) DDR1OGA
Trifluoroacetic Acid SCHEMBL2659328 0.82 OGA (0.32) OGA
Trifluoroacetic Acid SCHEMBL2659546 0.82 NPC1 (0.35) ALDH1A1DDR1OGAPOLB
Trifluoroacetic Acid SCHEMBL2660948 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