SCHEMBL814119

SCHEMBL814119

CC(C)/N=C/c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 7/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
NPC1 O15118 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
PKM P14618 4/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 5/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 3/20 0.48
LMNA P02545 4/20 0.46
GAA P10253 4/20 0.46
HTT P42858 3/20 0.46
GLA P06280 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46

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
SCHEMBL814387 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL814040 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL814160 0.83 KDM4E (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL813924 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL813986 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL10957656 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6185357 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6185354 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL15267615 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL814022 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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