SCHEMBL814387

SCHEMBL814387

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 7/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.45
HSP90AA1 P07900 1/20 0.45
DDAH1 O94760 1/20 0.45
MAPT P10636 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 4/20 0.42
NFKB1 P19838 2/20 0.42
HTT P42858 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42

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
SCHEMBL814160 0.87 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL814119 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL813924 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL814040 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL813986 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL813927 0.74 RAB9A (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL6717024 0.74 DDAH1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL10957656 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL6185357 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL6185354 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A

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