SCHEMBL814040

SCHEMBL814040

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HPGD P15428 7/20 0.50
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PKM P14618 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 7/20 0.44
GAA P10253 5/20 0.44
POLB P06746 3/20 0.44
RECQL P46063 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL814119 0.84 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL814160 0.81 KDM4E (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL814387 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL813924 0.78 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL813900 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL813986 0.76 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL10957656 0.74 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL6185354 0.74 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL6185357 0.74 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL15267615 0.73 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ESMN1; 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 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