Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3843940

Nc1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.60
CSNK1D P48730 1/20 0.45
KCNJ11 Q14654 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 2/20 0.42
ROCK2 O75116 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL1805709 0.94 P2RX7 (0.66) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL3837459 0.85 P2RX7 (0.69) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
Trifluoroacetic Acid SCHEMBL3836980 0.81 P2RX7 (0.52) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL3839544 0.80 P2RX7 (0.65) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL3842138 0.78 P2RX7 (0.52) P2RX7CSNK1DKCNJ11L3MBTL1ROCK2
SCHEMBL3837070 0.78 P2RX7 (0.63) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL1804074 0.78 P2RX7 (0.62) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
Trifluoroacetic Acid SCHEMBL3837888 0.77 P2RX7 (0.51) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL1801630 0.77 P2RX7 (0.76) P2RX7CSNK1DKCNJ11L3MBTL1EPHX2
SCHEMBL3839511 0.76 P2RX7 (0.55) P2RX7NPC1RAB9ASMN1; SMN2KMT2A

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-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP claimed