SCHEMBL814356

SCHEMBL814356

CSc1ccccc1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL813872 0.89 HPGD (0.45) ALDH1A1HPGDMAPTMEN1ALOX15
SCHEMBL814053 0.87 ALDH1A1 (0.33) ALDH1A1HPGDMAPTMEN1ALOX15
SCHEMBL814181 0.84 ALDH1A1 (0.40) ALDH1A1HPGDMAPTALOX15TSHR
SCHEMBL814097 0.82 MEN1 (0.43) ALDH1A1HPGDMAPTMEN1ALOX15
SCHEMBL813913 0.82 ALDH1A1 (0.43) ALDH1A1MAPTALOX15TSHR
SCHEMBL813780 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTMEN1MAPK1
SCHEMBL814526 0.81 MAPT (0.36) ALDH1A1HPGDMAPTMEN1ALOX15
SCHEMBL12460048 0.79 RAB9A (0.35) ALDH1A1HPGDMAPTALOX15TSHR
SCHEMBL813713 0.76 MAPT (0.34) ALDH1A1MAPTMEN1ALOX15TSHR
SCHEMBL814091 0.75 PSMB5 (0.36) ALDH1A1HPGDMAPTALOX15TSHR

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-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