SCHEMBL813900

SCHEMBL813900

C(=N/CCC(c1ccccc1)c1ccccc1)\c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 8/20 0.51
HPGD P15428 6/20 0.51
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
PKM P14618 4/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 8/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 7/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL814040 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813867 0.77 KDM4E (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813924 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813927 0.75 RAB9A (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL813968 0.75 RAB9A (0.53) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL814119 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL822943 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL814160 0.72 KDM4E (0.51) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6185357 0.72 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL10957656 0.72 ALDH1A1 (0.61) 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-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