SCHEMBL1665603

SCHEMBL1665603

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ TTR P02766 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CASP1 P29466 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 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
SCHEMBL1663326 0.86 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HSD17B10CASP1
SCHEMBL1663471 0.82 MAPT (0.45) MAPTTTRUSP2PKMKDM4E
SCHEMBL1662704 0.81 MAPT (0.44) MAPTTTRUSP2KDM4EALDH1A1
SCHEMBL1663210 0.81 MAPT (0.44) MAPTTTRUSP2PKMKDM4E
SCHEMBL1663480 0.79 MAPT (0.43) MAPTTTRUSP2PKMKDM4E
SCHEMBL3649415 0.79 MAPT (0.47) MAPTTTRUSP2KDM4EALDH1A1
SCHEMBL1662566 0.77 MAPT (0.41) MAPTTTRUSP2PKMKDM4E
SCHEMBL1663272 0.77 MAPT (0.41) MAPTTTRUSP2PKMKDM4E
SCHEMBL1664938 0.77 ALDH1A1 (0.39) MAPTKDM4EALDH1A1HSD17B10CASP1
SCHEMBL12794883 0.77 HSP90AA1 (0.40) USP2ALDH1A1CASP1GAACASP7

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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