SCHEMBL814221

SCHEMBL814221

CCCCCC/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.38
LMNA P02545 1/20 0.35
XDH P47989 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
DHFR P00374 1/20 0.33
SOAT1 P35610 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
GSK3B P49841 1/20 0.33
ADORA2B P29275 1/20 0.32

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
SCHEMBL12460354 0.78 RAB9A (0.36) MAPTNPC1RAB9AGAAADORA3
SCHEMBL814029 0.77 HAGH (0.33) NPC1RAB9A
SCHEMBL813984 0.75 ADORA3 (0.36) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL814050 0.74 MAPT (0.44) ALDH1A1MAPTALOX15KDM4EGAA
SCHEMBL813790 0.74 MAPT (0.38) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL813930 0.73 LMNA (0.35) LMNAALDH1A1MAPTKDM4ESOAT1
SCHEMBL14419469 0.73 LMNA (0.33) LMNAMAPTNPC1RAB9AADORA3
SCHEMBL813927 0.72 RAB9A (0.49) EZH2LMNAALDH1A1MAPTNPC1
SCHEMBL813663 0.71 GRIN1 (0.37)
SCHEMBL12394651 0.71 ADORA3 (0.35) ALDH1A1MAPTRAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603957-B1 POLYMERISATION AND OLIGOMERISATION CATALYSTS INEOS SALES UK LTD (GB) 2015-10-28 EP disclosed
US-8067328-B2 Polymerisation and oligomerisation catalysts INEOS EUROPE LIMITED (GB) 2011-11-29 US disclosed
US-7989565-B2 Polyolefins INEOS EUROPE LIMITED (GB) 2011-08-02 US disclosed
US-20090124487-A1 Polyolefins BARCLAYS BANK PLC (GB) 2009-05-14 US disclosed
US-20070207918-A1 Polymerisation and Oligomerisation Catalysts INEOS SALES (UK) LIMITED (GB) 2007-09-06 US disclosed
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed