SCHEMBL2767176

SCHEMBL2767176

Cc1cc(C(C)(C)c2ccccc2)nn1C(n1nc(C(C)(C)c2ccccc2)cc1C)n1nc(C(C)(C)c2ccccc2)cc1C.Cl[Mn]Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
NR3C2 P08235 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
Butadiene SCHEMBL2765647 0.86 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2765078 0.79 KDM4E (0.33)
SCHEMBL6526306 0.73 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2764085 0.73 ALDH1A1 (0.33) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2766524 0.72 RAB9A (0.44) ALDH1A1NPC1RAB9A
Methane SCHEMBL6526307 0.72 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2767182 0.71 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2765520 0.68 ALDH1A1 (0.34) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2765651 0.64 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2458919 0.64 RAB9A (0.49) ALDH1A1NPC1RAB9A

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-1266911-B1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
EP-1266911-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-18 EP disclosed