SCHEMBL23936684

SCHEMBL23936684

CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.34
PDK2 Q15119 5/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 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
SCHEMBL23936128 0.94 L3MBTL1 (0.40) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936411 0.92 L3MBTL1 (0.38) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936269 0.91 RARB (0.36) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936439 0.91 PDK2 (0.36) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936109 0.91 MEN1 (0.37) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936182 0.90 L3MBTL1 (0.41) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936114 0.90 L3MBTL1 (0.43) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL26937563 0.89 ADORA3 (0.39) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936715 0.88 MEN1 (0.37) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL23936208 0.88 MEN1 (0.39) ADORA2AADORA1ADORA3ADORA2BALOX15

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
US-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed