SCHEMBL1662820

SCHEMBL1662820

O=C(O)c1cc2cc(OC(F)F)cc(C(F)(F)F)n2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ CASP1 P29466 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 2/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1663018 0.84 CASP1 (0.49) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL21355438 0.82 KDM4E (0.43) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1663111 0.77 KDM4E (0.49) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1663127 0.76 KDM4E (0.48) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1662574 0.76 KDM4E (0.45) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1663539 0.74 MAPT (0.36) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1662624 0.73 MAPT (0.43) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL3694603 0.73 KDM4E (0.61) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL1662585 0.72 KDM4E (0.44) KDM4EHSD17B10ALDH1A1CASP1MAPT
SCHEMBL3691646 0.72 KDM4E (0.52) KDM4EHSD17B10ALDH1A1CASP1MAPT

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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