Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6410657

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(c3cc(Cl)ccc3-c3cccc(O)c3)C(=O)C2)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
PGGT1B P53609 1/20 0.31
P2RX7 Q99572 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL6410659 0.89 FNTA (0.33) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL6469829 0.86 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL6416690 0.85 FNTA (0.34) FNTAFNTBPGGT1BP2RX7
SCHEMBL6448742 0.82 FNTA (0.37) FNTAFNTBPGGT1B
SCHEMBL6413197 0.81 FPR1 (0.32) FNTAFNTBPGGT1B
SCHEMBL7532834 0.81 FNTA (0.43) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7653568 0.80 FNTA (0.42) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL7161934 0.78 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL6416078 0.78 FNTA (0.36) FNTAFNTBPGGT1B
SCHEMBL7166984 0.77 PRMT5 (0.41)

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed