SCHEMBL4989924

SCHEMBL4989924

C1=CN(c2ccccc2)N(c2ccccc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 1/20 0.36
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MAPK1 P28482 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
SCHEMBL21485066 0.75 GSK3A (0.35) SIGMAR1L3MBTL1MGLLGSK3AGSK3B
SCHEMBL7174001 0.73 NOTUM (0.36) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL2701163 0.67 NOTUM (0.32) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL6441333 0.67 NOTUM (0.40) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL11679959 0.64 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL13321978 0.62 LMNA (0.39) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL21387159 0.61 MGLL (0.41) SIGMAR1MGLLGSK3AGSK3BGAA
SCHEMBL1007068 0.61 KDM4E (0.35) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL15840870 0.61 GAA (0.41) SIGMAR1KDM4EATML3MBTL1MGLL
SCHEMBL1007069 0.61 MAPT (0.39) SIGMAR1KDM4EATML3MBTL1MGLL

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
CN-115197271-B Selenium/sulfur compound based on 1,2-diaryl-1,2-ethylene glycol (amine) and synthetic method thereof 泽升科技(广州)有限公司 2022-12-09 CN disclosed
CN-115197271-A Selenium/sulfur compounds based on 1, 2-diaryl-1, 2-ethanediol (amine) and synthetic method thereof 泽升科技(广州)有限公司 2022-10-18 CN disclosed
US-9425408-B2 Organic light emitting host materials NITTO DENKO CORPORATION (JP) 2016-08-23 US disclosed
US-9112159-B2 Bipolar hosts for light emitting devices NITTO DENKO CORPORATION (JP) 2015-08-18 US disclosed
US-20140284581-A1 ORGANIC LIGHT EMITTING HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-09-25 US disclosed
US-20140284584-A1 ORGANIC LIGHT EMITTING BIPOLAR HOST MATERIALS NITTO DENKO CORPORATION (JP) 2014-09-25 US disclosed
US-20140163237-A1 BIPOLAR HOSTS FOR LIGHT EMITTING DEVICES Nitto Denko Corportion (JP) 2014-06-12 US disclosed
US-20080139734-A1 Sealing Material Composition KANEKA CORPORATION (JP) 2008-06-12 US disclosed
EP-1743928-A1 SEALING MATERIAL COMPOSITION KANEKA CORPORATION (JP) 2007-01-17 EP disclosed
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 WO disclosed
EP-0127375-A2 Toner for use in electrophotography TORAY INDUSTRIES, INC. (JP) 1984-12-05 EP disclosed