SCHEMBL1663539

SCHEMBL1663539

O=C(O)c1nn2c(C(F)(F)F)cc(OC(F)F)cc2c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1662624 0.86 MAPT (0.43) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1664501 0.82 MAPT (0.39) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1663125 0.82 ALDH1A1 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1663187 0.77 MAPT (0.40) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1662820 0.74 KDM4E (0.43) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL26651257 0.72 KDM4E (0.36) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1664819 0.69 F2 (0.37) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1662907 0.68 ALDH1A1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1663480 0.67 MAPT (0.43) MAPTKDM4EALDH1A1HSD17B10CASP1
SCHEMBL18372562 0.64 MRGPRX4 (0.36) MAPTKDM4EALDH1A1SMN1; SMN2MRGPRX4

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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