SCHEMBL24947231

SCHEMBL24947231

Clc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c4ccccc4ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMX P51813 1/20 0.41
MAPK14 Q16539 1/20 0.40
PTGES O14684 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
DHODH Q02127 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MCL1 Q07820 2/20 0.34
BAD Q92934 2/20 0.34

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
SCHEMBL24948303 0.85 BMX (0.39) BMXMAPK14PTGESPTGDR2CYP1A2
SCHEMBL26491673 0.85 BMX (0.39) BMXMAPK14PTGESPTGDR2CYP1A2
SCHEMBL24948837 0.85 MAPK14 (0.34) MAPK14PTGESCDK4CCND1MCL1
SCHEMBL24948905 0.85 MAPK14 (0.49) BMXMAPK14PTGDR2CYP1A2CYP3A4
SCHEMBL26491772 0.84 BMX (0.38) BMXMAPK14PTGESPTGDR2CYP1A2
SCHEMBL22783412 0.84 BMX (0.40) BMXMAPK14PTGESCYP1A2CYP1A1
SCHEMBL24948678 0.83 CA12 (0.36) MAPK14CYP1A2CYP2C9MCL1BAD
SCHEMBL24949704 0.81 L3MBTL1 (0.36) BMXPTGESCYP1A2CYP1A1CYP1B1
SCHEMBL24948964 0.81 PTGES (0.41) BMXPTGESCYP1A2CYP1A1CYP1B1
SCHEMBL24947199 0.81 PTGES (0.41) BMXPTGESCYP1A2CYP1A1CYP1B1

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