SCHEMBL814012

SCHEMBL814012

Cn1c(/C=N/Cc2ccccc2C(F)(F)F)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.33
NTRK1 P04629 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.32
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL813868 0.82 MAPT (0.40) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL813791 0.76 NPC1 (0.36) KDM4EALDH1A1POLBTDP1
SCHEMBL814523 0.76 TAS1R3 (0.41) KDM4EALDH1A1ATMCYP2C9MEN1
SCHEMBL5608999 0.76 TAS1R3 (0.41) KDM4EALDH1A1ATMCYP2C9MEN1
SCHEMBL12460048 0.75 RAB9A (0.35) KDM4EALDH1A1POLBKMT2ATDP1
SCHEMBL813953 0.74 MEN1 (0.35) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL813913 0.74 ALDH1A1 (0.43) HSD11B1ALDH1A1
SCHEMBL814192 0.74 ALDH1A1 (0.35) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL814180 0.73 LMNA (0.32) ALDH1A1POLB
SCHEMBL813930 0.73 LMNA (0.35) HSD11B1KDM4EALDH1A1CYP2C9

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-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-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