Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7155334

COc1cc(C(=O)O)c(-c2cc(NS(=O)(=O)c3ccccc3C)ccc2Oc2ccc3cc(C#N)ccc3c2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.40
FABP4 P15090 1/20 0.39
ALPL P05186 2/20 0.38
TRIM24 O15164 2/20 0.38
BRD1 O95696 2/20 0.38
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MCL1 Q07820 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDH1 O75874 1/20 0.37
NPC1 O15118 1/20 0.37
AXL P30530 1/20 0.37
TBXA2R P21731 1/20 0.36

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 SCHEMBL7153144 0.88 BRD4 (0.43) PLA2G7BRD4
Trifluoroacetic Acid SCHEMBL7150647 0.86 PLA2G7 (0.44) PLA2G7SLC22A12MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7150674 0.86 PLA2G7 (0.37) PLA2G7BRD4SLC22A12MCL1MEN1
Trifluoroacetic Acid SCHEMBL7155223 0.86 PLA2G7 (0.43) PLA2G7SLC22A12MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7157237 0.76 PLA2G7 (0.39) PLA2G7SLC22A12MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6300629 0.76 PLA2G7 (0.44) PLA2G7
Trifluoroacetic Acid SCHEMBL7150670 0.74 PLA2G7 (0.41) PLA2G7SLC22A12
Trifluoroacetic Acid SCHEMBL6300704 0.73 PLA2G7 (0.47) PLA2G7MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7153794 0.73 BRD4 (0.40) PLA2G7BRD4TBXA2R
Trifluoroacetic Acid SCHEMBL6296006 0.72 BRD4 (0.43) PLA2G7BRD4TBXA2R

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-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed