SCHEMBL24948384

SCHEMBL24948384

Clc1ccc(-n2c3ccccc3c3cc4ccccc4cc32)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
OPRK1 P41145 4/20 0.37
BRD4 O60885 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
METAP2 P50579 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ELANE P08246 1/20 0.36
MDM2 Q00987 1/20 0.36
IDO1 P14902 2/20 0.36

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
SCHEMBL21147245 0.90 APAF1 (0.46) APAF1OPRK1BRD4GABRA1GABRA5
SCHEMBL30724564 0.90 APAF1 (0.37) APAF1ESR1ESR2OPRK1BRD4
SCHEMBL24949675 0.90 APAF1 (0.37) APAF1ESR1ESR2OPRK1BRD4
SCHEMBL19271558 0.86 KDM4E (0.36) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL22783392 0.85 BMX (0.39) APAF1BRD4LMNAHPGDMEN1
SCHEMBL23205762 0.84 KDM4E (0.43) ESR1ESR2LMNAHPGDMEN1
SCHEMBL24948921 0.84 DNM1 (0.39) ESR1ESR2HPGDMDM2IDO1
SCHEMBL24374426 0.84 KDM4E (0.36) APAF1LMNAHPGDMEN1KMT2A
SCHEMBL24948287 0.83 APAF1 (0.41) APAF1ESR1ESR2OPRK1BRD4
SCHEMBL27012180 0.83 PARP1 (0.39) LMNAMEN1KMT2AIDO1KDM4E

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