SCHEMBL813986

SCHEMBL813986

C/N=C/c1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 7/20 0.59
HPGD P15428 5/20 0.59
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
PKM P14618 4/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 6/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 5/20 0.49
GLA P06280 2/20 0.49

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
SCHEMBL814022 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6185357 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL10957656 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6185354 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15267615 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL814119 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL291450 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL19119423 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1086985 0.78 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL29539476 0.78 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDNPC1RAB9A

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