Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4585722

CC(C)C(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncc(C(=O)O)c(N5CCN(C)CC5)c4c3)S2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
CSF1R P07333 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK10 P53779 1/20 0.35
MELK Q14680 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MCHR1 Q99705 3/20 0.32
BRD4 O60885 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RET P07949 2/20 0.32
BRAF P15056 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
Trifluoroacetic Acid SCHEMBL4585709 1.00 ENPP2 (0.39) ENPP2CSF1RMEN1KMT2AMAPK10
Trifluoroacetic Acid SCHEMBL4585816 0.93 MEN1 (0.37) ENPP2MEN1KMT2AKDM4ETP53
Trifluoroacetic Acid SCHEMBL4585836 0.93 MEN1 (0.37) ENPP2MEN1KMT2AKDM4ETP53
Trifluoroacetic Acid SCHEMBL2988374 0.92 MEN1 (0.47) ENPP2MEN1KMT2AMAPK10MAPT
Trifluoroacetic Acid SCHEMBL5048553 0.92 MEN1 (0.47) ENPP2MEN1KMT2AMAPK10MAPT
SCHEMBL4585717 0.91 MEN1 (0.38) ENPP2CSF1RMEN1KMT2AMAPK10
Trifluoroacetic Acid SCHEMBL2990510 0.89 ENPP2 (0.40) ENPP2CSF1RMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2990505 0.89 ENPP2 (0.40) ENPP2CSF1RMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2988379 0.88 ENPP2 (0.37) ENPP2MEN1KMT2AKDM4ETP53
Trifluoroacetic Acid SCHEMBL5048576 0.86 MAPT (0.43) MEN1KMT2AMAPK10TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed