SCHEMBL2767182

SCHEMBL2767182

Cc1cc(C(C)(C)c2ccccc2)nn1C(n1nc(C(C)(C)c2ccccc2)cc1C)(n1nc(C(C)(C)c2ccccc2)cc1C)[Mn](Cl)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
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
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

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
SCHEMBL2766528 0.74 KDM4E (0.43) NPC1RAB9AALDH1A1
SCHEMBL6526306 0.73 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2764087 0.73 ALDH1A1 (0.33) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL2765651 0.72 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14
Methane SCHEMBL6526307 0.72 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2767176 0.71 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14NPC1
Butadiene SCHEMBL2765647 0.66 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL18654149 0.61 ESR1 (0.43) MAPK13MAPK12MAPK11MAPK14NR3C2
SCHEMBL27558772 0.60 KMT2A (0.47) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL18654128 0.60 ESR1 (0.46) NR3C2ALDH1A1ESR1CYP3A4ESR2

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