SCHEMBL22563549

SCHEMBL22563549

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)c5C#N)cc4c4ccc(-c5ccccc5)cc43)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
MAPK1 P28482 1/20 0.33
NPY5R Q15761 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL23487281 0.94 ADORA1 (0.39) SQORL3MBTL1KDM4EHPGDADORA2A
SCHEMBL23487617 0.93 KDM4E (0.38) KDM4EHPGDADORA2AADORA1NPSR1
SCHEMBL22563547 0.91 SQOR (0.40) SQORL3MBTL1KDM4EHPGDADORA2A
SCHEMBL21279048 0.91 ALDH1A1 (0.35) SQORL3MBTL1KDM4EHPGDADORA2A
SCHEMBL23487308 0.90 ADORA1 (0.46) SQORL3MBTL1KDM4EHPGDADORA2A
SCHEMBL22563573 0.90 KDM4E (0.40) L3MBTL1KDM4EHPGDADORA2AADORA1
SCHEMBL19909179 0.89 SQOR (0.37) SQORL3MBTL1KDM4EHPGDADORA2A
SCHEMBL23487778 0.88 PDE9A (0.38) L3MBTL1KDM4EHPGDADORA2AADORA1
SCHEMBL22563680 0.88 ABCG2 (0.39) L3MBTL1KDM4EHPGDADORA2AADORA1
SCHEMBL21279044 0.88 SQOR (0.39) SQORL3MBTL1KDM4EHPGDADORA2A

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
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed