SCHEMBL1663210

SCHEMBL1663210

CC(C)c1cc(C(F)(F)F)n2nc(C(=O)O)c(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TTR P02766 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ EIF4A3 P38919 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL1663480 0.88 MAPT (0.43) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1663272 0.88 MAPT (0.41) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1663187 0.86 MAPT (0.40) MAPTALDH1A1KDM4EPKMHSD17B10
SCHEMBL1663471 0.81 MAPT (0.45) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1665603 0.81 MAPT (0.45) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1662704 0.80 MAPT (0.44) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL3649415 0.78 MAPT (0.47) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1662624 0.78 MAPT (0.43) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1662801 0.77 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHSD17B10GAA
SCHEMBL1662566 0.76 MAPT (0.41) MAPTALDH1A1KDM4ETTRUSP2

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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