SCHEMBL813953

SCHEMBL813953

Cn1c(/C=N/C(C)(C)C)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12460048 0.87 RAB9A (0.35) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL814656 0.87 KDM4E (0.31) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL814526 0.82 MAPT (0.36) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL17213160 0.81
SCHEMBL813913 0.81 ALDH1A1 (0.43) MAPTALDH1A1TP53ALOX15TSHR
SCHEMBL814053 0.80 ALDH1A1 (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL814189 0.79 KDM4E (0.31) KDM4EALDH1A1HPGDPOLBHTT
SCHEMBL813775 0.79 BACE1 (0.34) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL813868 0.79 MAPT (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL5609006 0.79 ALDH1A1 (0.36) MEN1MAPTKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789459-B1 POLYOLEFINS INEOS SALES UK LTD (GB) 2014-04-30 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-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-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-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
US-7229943-B2 Polymerisation and oligomerisation catalysts INNOVENE EUROPE LIMITED (GB) 2007-06-12 US disclosed