Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5204634

N#Cc1c(C(N)=O)sc2c1CCCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 6/20 0.35
RAB9A P51151 5/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM1 Q13255 2/20 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 SCHEMBL5208518 0.90 FLT3 (0.38) ALDH1A1RAB9AHPGDNPC1KDM4E
Trifluoroacetic Acid SCHEMBL5204591 0.87 F10 (0.33) KMT2AMAPTPIK3CAPIK3CB
Trifluoroacetic Acid SCHEMBL5209006 0.87 PIK3CA (0.33) MEN1KMT2APIK3CAPIK3CB
SCHEMBL5203929 0.86 MAPK10 (0.41) MAPK10ALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL5205966 0.85 PDE4D (0.39) ALDH1A1HPGDKDM4EMAPTGAA
Trifluoroacetic Acid SCHEMBL5208796 0.85 SMN1; SMN2 (0.35) MAPK10ALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL5204674 0.84 ENPP2 (0.34) MAPK10ALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL4812316 0.82 ALDH1A1 (0.33) MAPK10ALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL5203620 0.81 PIK3CA (0.33) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5211679 0.80 OPRM1 (0.32) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2

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