SCHEMBL25930262

SCHEMBL25930262

C1=C(c2ccccc2)NC(c2cccc(-n3c4ccccc4c4ccccc43)c2)NC1c1cccc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC4 P56524 1/20 0.33
▸ KMT2A Q03164 1/20 0.30
▸ IL1R1 P14778 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL25930102 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL16856506 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL15615495 0.91 KDM4E (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL15582938 0.85 KDM4E (0.41) KDM4EATML3MBTL1HDAC4KMT2A
SCHEMBL18934031 0.85 HDAC4 (0.38) KDM4EATML3MBTL1HDAC4
SCHEMBL18561426 0.85 HDAC4 (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL18620746 0.84 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL18620748 0.84 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL18619211 0.84 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL17691079 0.83 HDAC4 (0.45) KDM4EATML3MBTL1HDAC4KMT2A

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
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