SCHEMBL25919658

SCHEMBL25919658

c1ccc(-n2c3ccncc3c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ACHE P22303 1/20 0.43
NPY5R Q15761 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC4 P56524 1/20 0.38
CDK4 P11802 1/20 0.37
CDK6 Q00534 1/20 0.37
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
PTGER4 P35408 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15317264 0.99 KDM4E (0.49) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL15317290 0.99 KDM4E (0.49) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL10309977 0.97 KDM4E (0.50) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL17349308 0.96 KDM4E (0.49) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL21481264 0.95 KDM4E (0.45) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL21481445 0.95 KDM4E (0.45) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL21481364 0.95 KDM4E (0.45) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL21481265 0.95 KDM4E (0.46) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL15317291 0.95 KDM4E (0.41) KDM4EATML3MBTL1MAOAMAOB
SCHEMBL15945584 0.95 KDM4E (0.53) KDM4EATML3MBTL1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed