SCHEMBL23058684

SCHEMBL23058684

Clc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.50
ADORA3 P0DMS8 2/20 0.40
TNKS O95271 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PDE5A O76074 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21926795 0.97 AHR (0.49) AHRADORA3TNKSKMT2AMEN1
SCHEMBL25894783 0.94 AHR (0.55) AHRTNKSKMT2AMEN1ALDH1A1
SCHEMBL23947895 0.94 AHR (0.55) AHRTNKSKMT2AMEN1ALDH1A1
SCHEMBL22178267 0.93 AHR (0.43) AHRADORA3TNKSKMT2AMEN1
SCHEMBL19802143 0.93 AHR (0.44) AHRADORA3TNKSKMT2AMEN1
SCHEMBL29918656 0.93 AHR (0.44) AHRADORA3TNKSKMT2AMEN1
SCHEMBL19802125 0.93 AHR (0.47) AHRADORA3TNKSKMT2ANPC1
SCHEMBL30737668 0.93 AHR (0.47) AHRADORA3TNKSKMT2ANPC1
SCHEMBL22329572 0.92 AHR (0.39) AHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL21191833 0.91 AHR (0.52) AHRTNKSKMT2AMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230006143-A1 MIXTURE OF TWO HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME MERCK PATENT GMBH (DE) 2023-01-05 US disclosed
WO-2021180625-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2021-09-16 WO disclosed
WO-2021037401-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-04 WO disclosed