SCHEMBL24947205

SCHEMBL24947205

Clc1ccc(-c2c(-c3ccccc3)cccc2-n2c3ccccc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
BMX P51813 1/20 0.37
MDM2 Q00987 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
GPR84 Q9NQS5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
ENPP1 P22413 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A3 Q01959 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32

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
SCHEMBL22783411 0.87 BMX (0.39) MAPK14BMXCYP1A2CYP1A1CYP1B1
SCHEMBL26490329 0.87 MAPK14 (0.42) MAPK14BMXMDM2CYP1A2CYP3A4
SCHEMBL24948314 0.87 MAPK14 (0.42) MAPK14BMXMDM2CYP1A2CYP3A4
SCHEMBL26491622 0.86 CYP1A2 (0.43) MAPK14MDM2CYP1A2CYP3A4CYP2C8
SCHEMBL26488458 0.86 PDE6D (0.33) MAPK14TDP1PDE6D
SCHEMBL26491673 0.85 BMX (0.39) MAPK14BMXMDM2CYP1A2CYP1A1
SCHEMBL24948303 0.85 BMX (0.39) MAPK14BMXMDM2CYP1A2CYP1A1
SCHEMBL26491591 0.84 BMX (0.40) MAPK14BMXMDM2CYP1A2CYP1A1
SCHEMBL26488779 0.84 CA12 (0.34) MAPK14CYP1A2CYP2C9ENPP1TDP1
SCHEMBL26491772 0.84 BMX (0.38) MAPK14BMXMDM2CYP1A2CYP1A1

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
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed