SCHEMBL1708269

SCHEMBL1708269

CCOc1nc2ccc(F)cc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)OC[C@H]2OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
NTRK1 P04629 1/20 0.33
ADORA2B P29275 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
SCHEMBL1707971 1.00 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708163 0.99 MAPT (0.34) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708377 0.92 ALDH1A1 (0.33) MAPTALDH1A1MAPK1ADORA2B
SCHEMBL1708675 0.92 ALDH1A1 (0.33) MAPTALDH1A1MAPK1ADORA2B
SCHEMBL1708002 0.92 MAPT (0.36) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708617 0.92 MAPT (0.36) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708698 0.91 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708673 0.90 MAPT (0.33) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708661 0.90 MAPT (0.33) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1708283 0.90 ALDH1A1 (0.33) MAPTALDH1A1MAPK1

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