SCHEMBL1662704

SCHEMBL1662704

O=C(O)c1nn2c(C(F)(F)F)cc(Br)cc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ TTR P02766 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RORC P51449 2/20 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
SCHEMBL1662862 0.84 ALDH1A1 (0.46) MAPTKDM4EHSD17B10GAAL3MBTL1
SCHEMBL3649415 0.81 MAPT (0.47) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1663480 0.81 MAPT (0.43) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1663471 0.81 MAPT (0.45) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1665603 0.81 MAPT (0.45) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1663210 0.80 MAPT (0.44) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1662566 0.79 MAPT (0.41) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1662624 0.78 MAPT (0.43) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1663272 0.76 MAPT (0.41) MAPTTTRUSP2KDM4EHSD17B10
SCHEMBL1719409 0.73 MAPT (0.69) MAPTUSP2KDM4EGAAL3MBTL1

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
Send feedback