Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6300704

N#Cc1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3-c3ccsc3C(=O)O)ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.47
ATM Q13315 1/20 0.44
PGR P06401 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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 SCHEMBL6295008 0.92 PLA2G7 (0.46) PLA2G7ATMMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6300629 0.92 PLA2G7 (0.44) PLA2G7ATMALDH1A1
SCHEMBL6300709 0.90 PLA2G7 (0.46) PLA2G7ATMPGRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6296006 0.88 BRD4 (0.43) PLA2G7ATM
SCHEMBL6300632 0.81 PLA2G7 (0.43) PLA2G7
SCHEMBL6295010 0.81 PLA2G7 (0.44) PLA2G7ATMMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL7155223 0.77 PLA2G7 (0.43) PLA2G7MEN1KMT2A
SCHEMBL6296007 0.77 BRD4 (0.42) PLA2G7PGR
Trifluoroacetic Acid SCHEMBL7150647 0.75 PLA2G7 (0.44) PLA2G7MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL7155334 0.73 PLA2G7 (0.40) PLA2G7MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed