SCHEMBL15632012

SCHEMBL15632012

c1ccc(-c2ccc3c(c2)c2ccc4ccn(-c5ccccc5)c4c2n3-c2ccc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5ccc6ccn(-c7ccccc7)c6c54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
HTR6 P50406 3/20 0.34
KDR P35968 1/20 0.34
MAOB P27338 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PLA2G4A P47712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17015383 0.95 L3MBTL1 (0.42) NR3C1HTR6KDRKDM4EATM
SCHEMBL17016259 0.95 L3MBTL1 (0.42) NR3C1HTR6KDRKDM4EATM
SCHEMBL17016261 0.95 L3MBTL1 (0.42) NR3C1HTR6KDRKDM4EATM
SCHEMBL17015386 0.95 L3MBTL1 (0.42) NR3C1HTR6KDRKDM4EATM
SCHEMBL17016310 0.95 L3MBTL1 (0.34) NR3C1HTR6KDRMAOBKDM4E
SCHEMBL17016305 0.95 L3MBTL1 (0.34) NR3C1HTR6KDRMAOBKDM4E
SCHEMBL17016311 0.94 KDM4E (0.35) HTR6KDRKDM4EATML3MBTL1
SCHEMBL17016307 0.93 KDM4E (0.33) NR3C1HTR6KDRMAOBKDM4E
SCHEMBL17016302 0.92 KDM4E (0.36) KDRKDM4EATML3MBTL1HDAC3
SCHEMBL17230145 0.92 TSPO (0.32) NR3C1HTR6KDRMAOBPTGER4

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-2014046392-A1 ORGANIC COMPOUND AND ELECTROLUMINESCENT ELEMENT HAVING SAME 주식회사 두산 (KR) 2014-03-27 WO disclosed