SCHEMBL25201352

SCHEMBL25201352

COc1ccc2ccc(Cl)cc2c1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
ABCB11 O95342 1/20 0.37
HPGD P15428 1/20 0.37
TTR P02766 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
SCHEMBL25194419 0.90 MEN1 (0.39) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL25202115 0.80 NPC1 (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29517404 0.79 MAPT (0.58) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL1004416 0.79 MAPT (0.58) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL28798247 0.78 IDO1 (0.42) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL322537 0.76 ENPP2 (0.52) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL30577426 0.76 ABCB11 (0.41) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL23214534 0.74 ENPP2 (0.41) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL29512391 0.74 ENPP2 (0.41) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL29276967 0.73 CA12 (0.49) MEN1KMT2ALMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222651-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-12 CN disclosed
WO-2023085835-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-05-19 WO disclosed