SCHEMBL1707914

SCHEMBL1707914

Cc1ccnc(Nc2cccc3c2OC[C@H]3N(C(=O)C(F)(F)F)c2ccc3c(c2)OC[C@H]3C(C)C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL1707746 0.91 JAK2 (0.31) MAPTKDM4C
SCHEMBL1708200 0.87 TYK2 (0.34) KDM4C
SCHEMBL1708204 0.86
SCHEMBL10010199 0.86 FFAR1 (0.41)
SCHEMBL1708177 0.86
SCHEMBL1707801 0.86
SCHEMBL1707820 0.85 KDM4C (0.30) KDM4C
SCHEMBL1708193 0.84
SCHEMBL1707704 0.84
SCHEMBL1707739 0.84

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