Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5259763

Brc1csc(CNc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.35
MMP9 P14780 5/20 0.35
MMP8 P22894 5/20 0.35
MMP13 P45452 5/20 0.35
HPSE Q9Y251 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABL1 P00519 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
SCHEMBL5257452 0.90 NPC1 (0.34) MMP2MMP9MMP8MMP13HPSE
Trifluoroacetic Acid SCHEMBL4843358 0.89 ABL1 (0.44) NPC1RAB9AKMT2AMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4838956 0.85 SCD (0.42) MMP2MMP9MMP8MMP13HPSE
Trifluoroacetic Acid SCHEMBL4844349 0.85 HPSE (0.36) MMP2MMP9MMP8MMP13HPSE
Trifluoroacetic Acid SCHEMBL4843563 0.84 ALDH1A1 (0.41) MMP2MMP9MMP8MMP13NPC1
Trifluoroacetic Acid SCHEMBL4842251 0.84 TPH1 (0.37) MMP2MMP9MMP8MMP13HPSE
Trifluoroacetic Acid SCHEMBL4839496 0.84 LDHA (0.38) MMP2MMP9MMP8MMP13HPSE
Trifluoroacetic Acid SCHEMBL4845670 0.83 FFAR1 (0.42) HPSEFFAR1
Trifluoroacetic Acid SCHEMBL4834113 0.83 MMP2 (0.36) MMP2MMP9MMP8MMP13NPC1
Trifluoroacetic Acid SCHEMBL4838725 0.83 MMP2 (0.34) MMP2MMP9MMP8MMP13HPSE

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-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed