SCHEMBL814181

SCHEMBL814181

Cc1ccccc1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 5/20 0.35
RECQL P46063 2/20 0.35
POLB P06746 2/20 0.35
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.31
ADORA2B P29275 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 2/20 0.30
TDP1 Q9NUW8 2/20 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
SCHEMBL814053 0.90 ALDH1A1 (0.33) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL814097 0.85 MEN1 (0.43) ALDH1A1MAPTKDM4ERECQLPOLB
SCHEMBL813913 0.85 ALDH1A1 (0.43) ALDH1A1MAPTTP53ALOX15TSHR
SCHEMBL813780 0.84 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL814356 0.84 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL814526 0.84 MAPT (0.36) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL814091 0.83 PSMB5 (0.36) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL813872 0.82 HPGD (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EALOX15
SCHEMBL813713 0.81 MAPT (0.34) ALDH1A1MAPTRAB9AKDM4EPOLB
SCHEMBL12460048 0.81 RAB9A (0.35) ALDH1A1MAPTNPC1RAB9APKM

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 12 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
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-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