SCHEMBL24948964

SCHEMBL24948964

Clc1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)c(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
BMX P51813 1/20 0.37
MAP4K4 O95819 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
DNM1 Q05193 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
APAF1 O14727 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
POLB P06746 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
SCHEMBL24947199 1.00 PTGES (0.41) PTGESBMXMAP4K4CYP1A2CYP1A1
SCHEMBL24948974 0.91 MCL1 (0.39) PTGESBMXCYP1A2CYP1A1CYP1B1
SCHEMBL22927007 0.87 KDM4E (0.38) PTGESCYP1A2CYP1A1GPR84APAF1
SCHEMBL30256937 0.86 CYP1A2 (0.39) BMXMAP4K4CYP1A2DNM1APAF1
SCHEMBL22783412 0.86 BMX (0.40) PTGESBMXCYP1A2CYP1A1CYP1B1
SCHEMBL27012163 0.86 CYP1A2 (0.46) MAP4K4CYP1A2DNM1GPR84APAF1
SCHEMBL30257589 0.85 DNM1 (0.46) PTGESMAP4K4CYP1A2DNM1APAF1
SCHEMBL26491772 0.84 BMX (0.38) PTGESBMXCYP1A2CYP1A1CYP1B1
SCHEMBL24948973 0.83 CYP1A2 (0.40) PTGESBMXCYP1A2CYP1A1CYP1B1
SCHEMBL24948965 0.82 APAF1 (0.36) PTGESBMXCYP1A2CYP1A1CYP1B1

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