SCHEMBL814113

SCHEMBL814113

Cc1cc(C)c(/N=C/c2nc3c(-c4ccccc4)ccc(-c4ccccc4)c3[nH]2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ESR2 Q92731 1/20 0.31
DHODH Q02127 3/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RPS6KA3 P51812 1/20 0.30
NUDT1 P36639 1/20 0.30
MAPK8 P45983 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
SCHEMBL12394651 0.86 ADORA3 (0.35) PSMB5ADORA3ADORA2AADORA1MEN1
SCHEMBL814162 0.83 MAPT (0.38) ADORA3ADORA2AADORA1MEN1GAA
SCHEMBL813790 0.82 MAPT (0.38) ADORA3ADORA2AADORA1TSHRSMN1; SMN2
SCHEMBL814054 0.80 CNR2 (0.33) DHODH
SCHEMBL813864 0.80 RARA (0.34) ADORA3ADORA2AADORA1KDM4E
SCHEMBL822986 0.79 MEN1 (0.44) MEN1GAATSHRKMT2ASMN1; SMN2
SCHEMBL12460354 0.79 RAB9A (0.36) ADORA3ADORA2AADORA1GAASMN1; SMN2
SCHEMBL14419469 0.78 LMNA (0.33) PSMB5ADORA3ADORA2AADORA1TSHR
SCHEMBL813989 0.78 NPC1 (0.34) ADORA3ADORA2AADORA1MEN1GAA
SCHEMBL814354 0.76 ALDH1A1 (0.44) ADORA3ADORA2AADORA1MAPT

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