SCHEMBL4602012

SCHEMBL4602012

O=C1CCc2cc(Nc3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.61
MKNK1 Q9BUB5 1/20 0.55
GRM5 P41594 1/20 0.53
APP P05067 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13877018 0.83 MAPK14 (0.81) MAPK14
SCHEMBL7005456 0.78 MAPK14 (0.74) MAPK14
SCHEMBL17961915 0.77 ALDH1A1 (0.56) MAPK14HSD17B10
SCHEMBL11961891 0.77 ALDH1A1 (0.56) MAPK14HSD17B10
SCHEMBL30966016 0.77 MAOA (0.53) MAPK14GRM5APP
SCHEMBL15765661 0.77 CASP1 (0.53) MAPK14MKNK1GRM5CASP1CASP7
SCHEMBL2316384 0.76 MAPK14 (1.00) MAPK14
SCHEMBL15190881 0.76 BAZ2B (0.60) MAPK14MKNK1GRM5CASP1CASP7
SCHEMBL13769497 0.76 MAPK14 (0.66) MAPK14
SCHEMBL7168804 0.76 HSD17B10 (0.54) MAPK14APPHSD17B10

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-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 WO disclosed