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SCHEMBL1708677

SCHEMBL1708677

CCOc1nc2c(F)cc(F)cc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)OC[C@H]2OC(C)=O.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL1708283 0.99 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1P2RX7MCHR1
SCHEMBL1708291 0.90 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1P2RX7MCHR1
SCHEMBL1708163 0.90 MAPT (0.34) ALDH1A1MAPTMAPK1
SCHEMBL1708667 0.90 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1P2RX7MCHR1
SCHEMBL1708269 0.89 MAPT (0.34) ALDH1A1MAPTMAPK1
SCHEMBL1707971 0.89 MAPT (0.34) ALDH1A1MAPTMAPK1
SCHEMBL1708675 0.89 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1
SCHEMBL1708377 0.88 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1
SCHEMBL1708281 0.88 FFAR1 (0.41) —
SCHEMBL1708698 0.87 MAPT (0.35) ALDH1A1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 — — EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 — — WO disclosed