Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2013515

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[C@@H]1CCN(c2c(CCNc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.36
MALT1 Q9UDY8 1/20 0.32
SLC2A1 P11166 3/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ABL1 P00519 2/20 0.31
METAP2 P50579 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
APAF1 O14727 1/20 0.31
MITF O75030 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL2014980 0.93 SLC40A1 (0.38) SLC40A1METAP2MAPTHTTSMN1; SMN2
SCHEMBL2014977 0.93 SLC40A1 (0.38) SLC40A1METAP2MAPTHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2016494 0.90 ATR (0.33) SLC40A1MMP2MMP9MAPTHTT
SCHEMBL2017050 0.90 SLC40A1 (0.40) SLC40A1METAP2MAPTHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2012687 0.90 MAPT (0.33) SLC40A1MMP2MMP9MAPTHTT
Trifluoroacetic Acid SCHEMBL2013265 0.89 KHK (0.33) METAP2CRHR1
Trifluoroacetic Acid SCHEMBL2013474 0.89 GPR6 (0.32) SLC40A1MMP2MMP9METAP2MAPT
SCHEMBL2013539 0.86 LMNA (0.33) SLC40A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL2013535 0.86 LMNA (0.33) SLC40A1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL2016578 0.84 CNR2 (0.38) L3MBTL1RAB9AAURKAAURKB

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed