SCHEMBL20180304

SCHEMBL20180304

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6ncc7ccccc76)c5)c4)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.47
KHK P50053 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PGR P06401 2/20 0.40
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20180230 0.90 NR3C1 (0.59) NR3C1KHKIRAK4CYP11B2PGR
SCHEMBL20180412 0.89 NR3C1 (0.61) NR3C1KHKIRAK4CYP11B2PGR
SCHEMBL20180350 0.89 NR3C1 (0.45) NR3C1KHKIRAK4PGRNPC1
SCHEMBL20180178 0.83 NR3C1 (0.55) NR3C1KHKIRAK4CYP11B2PGR
SCHEMBL20180183 0.83 NPC1 (0.40) NR3C1KHKIRAK4NPC1RAB9A
SCHEMBL20180188 0.83 NR3C1 (0.48) NR3C1KHKIRAK4PGR
SCHEMBL20180181 0.79 NR3C1 (0.44) NR3C1KHKIRAK4PGR
SCHEMBL26011218 0.79 NR3C1 (0.40) NR3C1KHKCYP11B1CYP11B2LRRK2
SCHEMBL20180414 0.79 NR3C1 (0.52) NR3C1KHKIRAK4PGR
SCHEMBL729956 0.78 KDM4E (0.56) NR3C1KHKCYP11B1CYP11B2LRRK2

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
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed