SCHEMBL19909189

SCHEMBL19909189

N#Cc1c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
ADORA1 P30542 3/20 0.39
MAPK1 P28482 2/20 0.39
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
MYC P01106 1/20 0.36
HPGD P15428 5/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL19913311 1.00 SQOR (0.40) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL19909154 0.93 SQOR (0.46) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL31272893 0.93 SQOR (0.46) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL22563550 0.92 SQOR (0.40) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL22563492 0.92 SQOR (0.40) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL23341359 0.91 SQOR (0.45) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL31273365 0.91 SQOR (0.45) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL21279049 0.91 SQOR (0.39) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL21278834 0.91 SQOR (0.39) SQORL3MBTL1ADORA1MAPK1ADORA2A
SCHEMBL19909314 0.91 MYC (0.41) SQORL3MBTL1ADORA1MAPK1ADORA2A

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
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed