SCHEMBL17952947

SCHEMBL17952947

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4cncc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)c4)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NR3C1 P04150 1/20 0.41
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
SMO Q99835 1/20 0.36
CHEK1 O14757 1/20 0.36
AVPR1A P37288 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL11987833 1.00 CYP11B1 (0.44) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL11987828 0.95 L3MBTL1 (0.49) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL11981064 0.92 L3MBTL1 (0.53) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL11987859 0.92 MAPK10 (0.41) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL17952899 0.91 CYP11B2 (0.42) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL17952852 0.90 CHRNB4 (0.46) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL10015292 0.90 KDM4E (0.44) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL11987839 0.90 L3MBTL1 (0.47) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL10015296 0.90 KDM4E (0.44) CYP11B1CYP11B2MKNK1MKNK2NR3C1
SCHEMBL12342483 0.88 ATM (0.47) NR3C1ATMKDM4EL3MBTL1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed