Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18759474

Cn1nc(-c2ccc(-c3ccccc3)cc2)c2scc(-c3ccncc3)c2c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
HPGD P15428 1/20 0.38
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
NR4A2 P43354 1/20 0.37
TSHR P16473 1/20 0.36
GRM1 Q13255 5/20 0.35

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 SCHEMBL18759421 0.92 PDE10A (0.44) PDE10AHPGDCSF1RFGFR1FLT1
Trifluoroacetic Acid SCHEMBL18759441 0.92 PDE10A (0.44) PDE10AHPGDCSF1RFGFR1FLT1
Trifluoroacetic Acid SCHEMBL18759412 0.92 PDE10A (0.44) PDE10AHPGDCSF1RFGFR1FLT1
Trifluoroacetic Acid SCHEMBL18759465 0.92 PDE10A (0.44) PDE10AHPGDCSF1RFGFR1FLT1
Trifluoroacetic Acid SCHEMBL18759418 0.92 PDE10A (0.44) PDE10AHPGDCSF1RFGFR1FLT1
Trifluoroacetic Acid SCHEMBL18759443 0.92 PDE10A (0.44) PDE10AKDRTP53GRM1SMN1; SMN2
SCHEMBL16047506 0.92 GRM1 (0.41) HPGDCSF1RFGFR1FLT1KDR
Trifluoroacetic Acid SCHEMBL18759411 0.91 BTK (0.46) PDE10AKDRGABRA1GABRG2GABRB3
Trifluoroacetic Acid SCHEMBL16044130 0.91 GPR35 (0.43) PDE10AHPGDLMNA
Trifluoroacetic Acid SCHEMBL18759406 0.91 PDE10A (0.45) PDE10AKDRLMNAGRM1

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-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP disclosed