SCHEMBL4078022

SCHEMBL4078022

N#Cc1ccc([C](c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.58
CA12 O43570 1/20 0.57
CA3 P07451 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
GSK3B P49841 2/20 0.52
CYP2A6 P11509 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MMP3 P08254 1/20 0.50
ENPP2 Q13822 1/20 0.50
TSHR P16473 1/20 0.48
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
MAPT P10636 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43

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
SCHEMBL2179897 0.90 TSHR (0.59) CA2CA1CA12CA3CA6
SCHEMBL21783612 0.82 CA2 (0.58) CA2CA1CA12CA3CA6
SCHEMBL2178959 0.81 MAOB (0.50) CA2CA1CA12CA3CA6
SCHEMBL2503454 0.80 CA2 (0.69) CA2CA1CA12CA3CA6
Water SCHEMBL28189314 0.80 CA2 (0.69) CA2CA1CA12CA3CA6
Water SCHEMBL28254092 0.80 CA2 (0.69) CA2CA1CA12CA3CA6
SCHEMBL45942 0.80 CA2 (0.69) CA2CA1CA12CA3CA6
SCHEMBL1029790 0.79 CA2 (0.61) CA2CA1CA12CA3CA6
SCHEMBL9272877 0.78 CA2 (0.54) CA2CA1CA12CA3CA6
SCHEMBL6277579 0.78 CA2 (0.54) CA2CA1CA12CA3CA6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed