SCHEMBL19909133

SCHEMBL19909133

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SQOR Q9Y6N5 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
PDE9A O76083 1/20 0.37

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
SCHEMBL19909196 0.96 ADORA1 (0.46) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL31273577 0.95 ADORA1 (0.45) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL22170312 0.94 ADORA1 (0.43) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL19913306 0.92 ADORA1 (0.46) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL22562204 0.92 ADORA1 (0.42) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL22563685 0.92 KDM4E (0.43) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL19909431 0.91 ADORA2A (0.47) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL21279128 0.91 ADORA1 (0.42) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL19909154 0.91 SQOR (0.46) KDM4EADORA2AADORA1NPSR1HPGD
SCHEMBL31272893 0.91 SQOR (0.46) KDM4EADORA2AADORA1NPSR1HPGD

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