SCHEMBL15436384

SCHEMBL15436384

c1ccc(-c2cccc(-n3c4cnccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.35
CDK4 P11802 2/20 0.35
CDK6 Q00534 2/20 0.35
DYRK1A Q13627 2/20 0.35
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP17A1 P05093 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TOP2A P11388 1/20 0.32
METAP2 P50579 1/20 0.31
IL1R1 P14778 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
SCHEMBL21454370 0.99 KDM4E (0.41) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL21453857 0.99 KDM4E (0.41) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL18357461 0.93 KDM4E (0.40) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL26329923 0.92 KDM4E (0.39) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL26329942 0.92 KDM4E (0.41) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL21454378 0.91 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL21454348 0.91 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPTCDK4
SCHEMBL15436385 0.91 KDM4E (0.49) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL26329922 0.90 KDM4E (0.43) KDM4EATML3MBTL1CDK4CDK6
SCHEMBL17248270 0.89 L3MBTL1 (0.50) KDM4EATML3MBTL1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-9543526-B2 Nitrogen-containing aromatic compounds and organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-01-10 US disclosed
EP-2687530-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2014-01-22 EP disclosed