SCHEMBL822986

SCHEMBL822986

Cc1nn(C)c(C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
HCRTR1 O43613 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
CREBBP Q92793 1/20 0.34
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL814113 0.79 PSMB5 (0.36) MEN1GAAKMT2AMAPTSMN1; SMN2
SCHEMBL814162 0.77 MAPT (0.38) MEN1GAAKMT2AMAPTSMN1; SMN2
SCHEMBL814230 0.76 GAA (0.45) MEN1GAAKMT2AMAPTHCRTR1
SCHEMBL813790 0.76 MAPT (0.38) MAPTSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL814054 0.76 CNR2 (0.33)
SCHEMBL813864 0.76 RARA (0.34)
SCHEMBL12394651 0.75 ADORA3 (0.35) MEN1GAAKMT2AMAPTALDH1A1
SCHEMBL12460354 0.75 RAB9A (0.36) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL813989 0.74 NPC1 (0.34) MEN1GAAKMT2AMAPTSMN1; SMN2
SCHEMBL813941 0.74 GAA (0.58) MEN1GAAKMT2AMAPTHCRTR1

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 10 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
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