SCHEMBL813979

SCHEMBL813979

C(=N/c1cccc2ccccc12)\c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.42
DHODH Q02127 2/20 0.40
CHAT P28329 1/20 0.39
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
LMNA P02545 3/20 0.35
HSP90AA1 P07900 1/20 0.35
ATM Q13315 2/20 0.34
APAF1 O14727 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL813989 0.87 NPC1 (0.34) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL814156 0.84 MEN1 (0.32) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL813790 0.84 MAPT (0.38) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL814354 0.81 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL814162 0.81 MAPT (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL813915 0.81 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL813978 0.81 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL813873 0.80 KDM4E (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL814054 0.79 CNR2 (0.33) DHODH
SCHEMBL12460354 0.77 RAB9A (0.36) MAPTCDK4CCND1MAP4K4CSF1R

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