Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3639222

N#Cc1nccc2[nH]cnc12.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.45
▸ CTSS P25774 9/20 0.43
▸ CTSK P43235 6/20 0.43
▸ PARP1 P09874 1/20 0.39
▸ DRD1 P21728 1/20 0.36
▸ GPR6 P46095 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ PLCG1 P19174 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL1744011 0.85 CTSS (0.43) EGLN1CTSSCTSKPARP1DRD1
Trifluoroacetic Acid SCHEMBL13822271 0.80 GPR6 (0.35) GPR6L3MBTL1PLCG1
Trifluoroacetic Acid SCHEMBL25208651 0.78 PARP1 (0.49) EGLN1CTSSCTSKPARP1
SCHEMBL7293963 0.72 EGLN1 (0.42) EGLN1CTSSCTSKPARP1DRD1
SCHEMBL4791037 0.71 EGLN1 (0.63) EGLN1PARP1L3MBTL1MMP12HCRTR1
Trifluoroacetic Acid SCHEMBL20482044 0.70 PARP1 (0.60) PARP1
Trifluoroacetic Acid SCHEMBL14638487 0.69 PIN1 (0.48) —
Trifluoroacetic Acid SCHEMBL14638489 0.69 PIN1 (0.42) L3MBTL1
Trifluoroacetic Acid SCHEMBL2500721 0.67 PARP1 (0.46) EGLN1PARP1L3MBTL1
SCHEMBL22533810 0.66 EGLN1 (0.57) EGLN1PARP1DRD1MMP12HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178873-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. Organon (NL) 2010-04-28 — — EP claimed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 — — WO claimed
EP-2178873-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. Organon (NL) 2010-04-28 — — EP disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 — — WO disclosed
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