Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7743550

N#Cc1ccc(CC(c2cnc[nH]2)N2CCc3ccc(N)cc3C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.37
FPR2 P25090 6/20 0.37
CYP19A1 P11511 2/20 0.36
CPB2 Q96IY4 3/20 0.34
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CPB1 P15086 1/20 0.33
P2RX7 Q99572 1/20 0.33
PRKAA2 P54646 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
NLN Q9BYT8 1/20 0.33
CPA1 P15085 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL7738285 0.82 HRH3 (0.37) FPR1FPR2CYP19A1
SCHEMBL7744111 0.82 HRH3 (0.37) FPR1FPR2CYP19A1
SCHEMBL7738184 0.81 CYP19A1 (0.41) FPR1FPR2CYP19A1CPA1FNTA
SCHEMBL8487145 0.81 FPR2 (0.42) FPR1FPR2PRKAA2
SCHEMBL7746101 0.81 CYP19A1 (0.43) FPR1FPR2CYP19A1NLN
SCHEMBL7746078 0.80 KCNJ1 (0.39) FPR1FPR2CYP19A1DPP4DPP8
SCHEMBL7744150 0.79 HRH3 (0.37) CYP19A1
SCHEMBL7743502 0.78 MAPT (0.43) CYP19A1
Trifluoroacetic Acid SCHEMBL7662111 0.77 FNTA (0.39) CYP19A1CPB2DPP4DPP8DPP9
SCHEMBL7744222 0.76 CYP11B1 (0.37) CYP19A1P2RX7FNTAFNTB

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-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed