SCHEMBL25920142

SCHEMBL25920142

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSPO P30536 1/20 0.44
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HDAC4 P56524 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGER4 P35408 1/20 0.39
NPY5R Q15761 1/20 0.39
NR4A2 P43354 2/20 0.38
DHODH Q02127 1/20 0.38
HTT P42858 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AVPR1A P37288 1/20 0.37
RAC2 P15153 1/20 0.37

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
SCHEMBL17178965 1.00 KDM4E (0.50) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL23789129 0.98 KDM4E (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL17691603 0.98 L3MBTL1 (0.53) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL23679400 0.97 KDM4E (0.53) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL12109712 0.97 KDM4E (0.53) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL17178619 0.96 L3MBTL1 (0.50) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL18779644 0.96 KDM4E (0.46) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL18779591 0.96 L3MBTL1 (0.50) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL26717845 0.96 L3MBTL1 (0.50) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL26717825 0.96 L3MBTL1 (0.50) 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