Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5246743

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NCc3ccccn3)c2COCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
PTGER1 P34995 1/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MELK Q14680 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK10 P53779 1/20 0.39
SORT1 Q99523 1/20 0.39
MIF P14174 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
Trifluoroacetic Acid SCHEMBL5243967 0.92 RAB9A (0.44) NPC1RAB9APTGER1KMT2AMEN1
SCHEMBL5250048 0.90 EPHX2 (0.46) MAPK14LMNARAB9AKMT2AMEN1
Trifluoroacetic Acid SCHEMBL5249602 0.89 LMNA (0.43) MAPK14LMNAPTGER1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5250686 0.88 LMNA (0.46) LMNAPOLBPTGER1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5244195 0.87 SCN9A (0.36) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5244539 0.86 SMO (0.44) LMNAKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL5244893 0.86 MAPK14 (0.48) MAPK14
SCHEMBL5248134 0.86 P2RX3 (0.42) LMNAKMT2AMEN1HPGDMIF
SCHEMBL5248045 0.85 GRM5 (0.43) LMNAKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL5245240 0.85 HPGD (0.45) POLBRAB9AKMT2AMEN1HPGD

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed