SCHEMBL813872

SCHEMBL813872

Cn1c(/C=N/c2ccccc2Sc2ccccc2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRNA7 P36544 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL814356 0.89 ALDH1A1 (0.46) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL814053 0.85 ALDH1A1 (0.33) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL814181 0.82 ALDH1A1 (0.40) HPGDKDM4EALDH1A1MAPTALOX15
SCHEMBL814097 0.81 MEN1 (0.43) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL813913 0.81 ALDH1A1 (0.43) ALDH1A1MAPTALOX15TSHR
SCHEMBL813780 0.80 ALDH1A1 (0.41) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL814526 0.80 MAPT (0.36) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL12460048 0.77 RAB9A (0.35) HPGDKDM4EALDH1A1MAPTALOX15
SCHEMBL814337 0.76 KDM4E (0.52) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL813713 0.74 MAPT (0.34) KDM4EALDH1A1MAPTMEN1ALOX15

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