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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1433925

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H]2CCCN2Cc2ccccc2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 3/20 0.45
▸ TACR1 P25103 8/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ F2 P00734 1/20 0.42
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL1432083 0.96 TACR1 (0.47) XIAPTACR1F2ITGB1ITGA4
SCHEMBL1432037 0.96 TACR1 (0.47) XIAPTACR1F2ITGB1ITGA4
SCHEMBL1433063 0.88 HDAC1 (0.44) XIAPTACR1F2ITGB1ITGA4
SCHEMBL1432028 0.84 HDAC1 (0.40) XIAPF2MEN1KMT2AHDAC1
SCHEMBL1432334 0.84 F2 (0.46) XIAPF2ITGB1ITGA4MEN1
SCHEMBL1431568 0.83 TACR1 (0.44) XIAPTACR1ITGB1ITGA4
SCHEMBL1432215 0.82 TACR1 (0.45) XIAPTACR1F2
SCHEMBL1432153 0.81 TACR1 (0.43) XIAPTACR1ITGB1ITGA4MEN1
SCHEMBL1432977 0.81 F2 (0.49) F2ITGB1ITGA4
Hydrochloric Acid SCHEMBL3256738 0.80 TACR1 (0.46) XIAPTACR1

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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