SCHEMBL25920143

SCHEMBL25920143

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSPO P30536 2/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HDAC4 P56524 1/20 0.36
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPY5R Q15761 1/20 0.34
NR4A2 P43354 2/20 0.33
DHODH Q02127 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
EDNRA P25101 2/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL26480934 0.97 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25919769 0.94 KDM4E (0.41) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL26481071 0.94 KDM4E (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25938506 0.94 KDM4E (0.41) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL26480947 0.93 L3MBTL1 (0.40) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL26480955 0.93 KDM4E (0.40) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25919267 0.92 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25936867 0.92 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25925301 0.92 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL25920075 0.92 KDM4E (0.39) KDM4EATML3MBTL1TSPOAKR1C4

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