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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5203957

CC(C)n1c(OCCCN)nc(OCc2ccc(F)cc2F)c(Cl)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.43
▸ MAPK11 Q15759 1/20 0.40
▸ GNRHR P30968 1/20 0.38
▸ PTGER1 P34995 3/20 0.35
▸ MAPKAPK2 P49137 2/20 0.35
▸ MAOB P27338 1/20 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
SCHEMBL5206786 0.88 MAPK14 (0.43) MAPK14MAPK11PTGER1MAOB
SCHEMBL5204463 0.88 MAPK14 (0.47) MAPK14MAPK11PTGER1MAOB
SCHEMBL5202280 0.86 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2MAOB
SCHEMBL5205668 0.85 MAPK14 (0.47) MAPK14MAPK11
Trifluoroacetic Acid SCHEMBL5204473 0.85 MAPK14 (0.40) MAPK14
SCHEMBL5205934 0.84 MAPK14 (0.46) MAPK14MAPK11PTGER1MAOB
SCHEMBL5202629 0.83 MAPK14 (0.45) MAPK14MAPK11MAPKAPK2
SCHEMBL5201926 0.80 MAPK14 (0.43) MAPK14MAPK11MAOB
SCHEMBL5209385 0.80 MAPK14 (0.44) MAPK14MAPK11MAPKAPK2
SCHEMBL5201921 0.80 MAPK14 (0.41) MAPK14MAPK11PTGER1MAPKAPK2MAOB

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
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 — — EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 — — WO disclosed