Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28439757

Cc1ccc(-c2c(C#Cc3ccncc3)cccc2C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ FFAR1 O14842 6/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL16720351 0.93 NPC1 (0.38) FFAR1NPC1RAB9AGRM5GAA
Trifluoroacetic Acid SCHEMBL16720276 0.89 NPC1 (0.43) PDE10AFFAR1NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL28437063 0.85 DHODH (0.37) FFAR1KMT2APOLBKDM4EDHODH
SCHEMBL28439756 0.84 CYP1A2 (0.33) KCNH2GRM5
SCHEMBL16720455 0.83 NPC1 (0.45) FFAR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16720597 0.83 NPC1 (0.49) FFAR1NPC1RAB9AGAAKMT2A
Trifluoroacetic Acid SCHEMBL28432286 0.83 PTGDR2 (0.38) PDE10AFFAR1NPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL28436261 0.83 DHODH (0.34) PDE10AFFAR1NPC1RAB9AGAA
SCHEMBL16720829 0.81 NPC1 (0.49) FFAR1NPC1RAB9AKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL28432317 0.81 CCNC (0.38) NPC1L3MBTL1

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
CN-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 — — CN disclosed
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