SCHEMBL31273449

SCHEMBL31273449

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ADORA2A P29274 4/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 4/20 0.41
SQOR Q9Y6N5 3/20 0.40
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31272885 0.96 ADORA1 (0.44) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL23296403 0.93 ADORA1 (0.39) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL22563698 0.91 KDM4E (0.45) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL22563685 0.90 KDM4E (0.43) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL22562206 0.88 ADORA1 (0.44) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL22170312 0.87 ADORA1 (0.43) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL23487281 0.87 ADORA1 (0.39) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL21278715 0.87 ADORA1 (0.44) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL21279128 0.86 ADORA1 (0.42) ADORA1KDM4EADORA2AHPGDNPSR1
SCHEMBL22563375 0.86 SQOR (0.45) ADORA1KDM4EADORA2AHPGDNPSR1

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
EP-4498784-A2 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux, Inc. (JP) 2025-01-29 EP disclosed
EP-3775100-B1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-01-22 EP disclosed