Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3147565

CC(=O)Nc1ccc(-c2cnc(N3CCN(C(C)C)CC3)cc2C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.40
KIT P10721 1/20 0.40
ESRRG P62508 1/20 0.40
PANK3 Q9H999 1/20 0.39
WNT1 P04628 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
IKBKB O14920 1/20 0.39
SLC2A1 P11166 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL1742792 0.93 TLR9 (0.46) KDM4EMAPTALDH1A1TLR9TLR8
SCHEMBL1744088 0.82 PIK3C3 (0.46) TLR9TLR8TLR7PTPN11
SCHEMBL1744440 0.80 TLR9 (0.48) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL1742863 0.78 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1743029 0.77 KDM4E (0.54) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1741619 0.76 JAK2 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1742775 0.75 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1742297 0.75 HRH3 (0.50) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL1744142 0.74 HTT (0.42) PTPN11ESRRGDYRK1A
SCHEMBL1742838 0.73 AKR1C3 (0.46) TLR9TLR8TLR7PTPN11

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-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed