SCHEMBL22562535

SCHEMBL22562535

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
SQOR Q9Y6N5 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPY5R Q15761 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TGFBR1 P36897 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL22562542 0.97 ADORA2A (0.41) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL22562538 0.94 ADORA2A (0.39) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL19909440 0.93 SQOR (0.40) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL22562545 0.91 ADORA1 (0.41) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL21279079 0.91 SQOR (0.39) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL22562541 0.91 ADORA2A (0.41) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL22563437 0.90 SQOR (0.40) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL19909441 0.90 L3MBTL1 (0.43) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL22562333 0.88 ALDH1A1 (0.38) ADORA2AADORA1SQORL3MBTL1KDM4E
SCHEMBL19942684 0.88 AR (0.35) ADORA2AADORA1SQORL3MBTL1KDM4E

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed