SCHEMBL814162

SCHEMBL814162

C(=N/c1ccccc1)\c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAOA P21397 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 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
SCHEMBL12394651 0.87 ADORA3 (0.35) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL813989 0.86 NPC1 (0.34) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL12460354 0.84 RAB9A (0.36) MAPTNPC1RAB9AGAAADORA3
SCHEMBL814113 0.83 PSMB5 (0.36) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL813790 0.82 MAPT (0.38) MAPTALDH1A1CYP2C9NPC1RAB9A
SCHEMBL814054 0.82 CNR2 (0.33)
SCHEMBL814156 0.82 MEN1 (0.32) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL813979 0.81 MEN1 (0.44) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL814354 0.80 ALDH1A1 (0.44) MAPTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL813809 0.80 ADORA3 (0.35) MAPTKMT2AMEN1NPC1RAB9A

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 11 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-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