SCHEMBL822943

SCHEMBL822943

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HPGD P15428 6/20 0.43
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 6/20 0.42
PKM P14618 2/20 0.42
HSP90AA1 P07900 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
MCL1 Q07820 1/20 0.39
GAA P10253 3/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
LMNA P02545 4/20 0.36

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
SCHEMBL813927 0.78 RAB9A (0.49) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL823036 0.76 ADK (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL813900 0.73 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL813867 0.72 KDM4E (0.52) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL813924 0.71 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL10871003 0.70 ALDH1A1 (0.67) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL813968 0.70 RAB9A (0.53) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL813986 0.69 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL814119 0.68 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL814160 0.68 KDM4E (0.51) ALDH1A1HPGDKDM4ERAB9AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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