SCHEMBL30724564

SCHEMBL30724564

Clc1ccc(-c2ccccc2-n2c3ccccc3c3cc4ccccc4cc32)c(-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
S100A4 P26447 1/20 0.34
ALDH1A1 P00352 1/20 0.34
METAP2 P50579 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK14 Q16539 1/20 0.34
ELANE P08246 1/20 0.34
MDM2 Q00987 1/20 0.34
BRD4 O60885 2/20 0.32
OPRK1 P41145 2/20 0.32
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 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
SCHEMBL24949675 1.00 APAF1 (0.37) APAF1ESR1ESR2IDO1TDO2
SCHEMBL24948304 0.91 S100A4 (0.40) APAF1IDO1TDO2IDO2S100A4
SCHEMBL30724560 0.91 S100A4 (0.40) APAF1IDO1TDO2IDO2S100A4
SCHEMBL24948384 0.90 APAF1 (0.42) APAF1ESR1ESR2IDO1TDO2
SCHEMBL25000011 0.89 S100A4 (0.38) APAF1IDO1TDO2IDO2S100A4
SCHEMBL30724557 0.86 DNM1 (0.40) APAF1IDO1TDO2IDO2S100A4
SCHEMBL30724559 0.86 DNM1 (0.38) APAF1IDO1TDO2IDO2S100A4
SCHEMBL22783392 0.86 BMX (0.39) APAF1ALDH1A1MEN1KMT2ABRD4
SCHEMBL23205762 0.86 KDM4E (0.43) ESR1ESR2IDO1TDO2IDO2
SCHEMBL24999404 0.85 CYP2A6 (0.40) APAF1IDO1TDO2IDO2S100A4

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-2024014660-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-01-18 WO disclosed