SCHEMBL814526

SCHEMBL814526

Cn1c(/C=N/c2ccccc2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 4/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 4/20 0.35
PKM P14618 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 6/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
MAOA P21397 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL813713 0.89 MAPT (0.34) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL814053 0.86 ALDH1A1 (0.33) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL12460048 0.86 RAB9A (0.35) MAPTALDH1A1KMT2AGAARAB9A
SCHEMBL814091 0.85 PSMB5 (0.36) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL814181 0.84 ALDH1A1 (0.40) MAPTALDH1A1CYP2C9GAARAB9A
SCHEMBL814097 0.82 MEN1 (0.43) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL813913 0.82 ALDH1A1 (0.43) MAPTALDH1A1TSHRTP53ALOX15
SCHEMBL813953 0.82 MEN1 (0.35) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL814356 0.81 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL814334 0.81 GAA (0.32) ALDH1A1GAAKDM4EHPGDTSHR

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
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-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