SCHEMBL814742

SCHEMBL814742

CC(/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.32
ATP1A1 P05023 3/20 0.30
ATP1B1 P05026 3/20 0.30
ATP1A3 P13637 3/20 0.30
ATP1B2 P14415 3/20 0.30
ATP1A2 P50993 3/20 0.30
ATP1B3 P54709 3/20 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
SCHEMBL814189 0.86 KDM4E (0.31) ALDH1A1HPGDKDM4EPOLBTDP1
SCHEMBL813758 0.85 KDM4E (0.31) ALDH1A1HPGDKDM4EPOLBTDP1
SCHEMBL813791 0.82 NPC1 (0.36) ALDH1A1HPGDKDM4EPOLBTDP1
SCHEMBL12460048 0.81 RAB9A (0.35) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL814180 0.80 LMNA (0.32) ALDH1A1POLB
SCHEMBL814526 0.79 MAPT (0.36) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL813953 0.78 MEN1 (0.35) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL814334 0.77 GAA (0.32) ALDH1A1HPGDKDM4EPOLBTDP1
SCHEMBL814053 0.77 ALDH1A1 (0.33) MAPTALDH1A1HPGDKDM4EPOLB
SCHEMBL814656 0.76 KDM4E (0.31) ALDH1A1HPGDKDM4EPOLBTDP1

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-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-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