SCHEMBL18090535

SCHEMBL18090535

c1ccc2c(c1)c1ccccc1n2-c1ccc(Cc2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
ATM Q13315 1/20 0.42
PAX8 Q06710 1/20 0.40
REN P00797 1/20 0.38
HDAC4 P56524 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PARP1 P09874 1/20 0.35
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL262081 0.99 PAX8 (0.40) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL11965530 0.99 PAX8 (0.40) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL261940 0.99 PAX8 (0.40) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL261941 0.94 PAX8 (0.43) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL261839 0.94 PAX8 (0.43) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL13141973 0.90 KDM4E (0.47) KDM4EL3MBTL1ATMHDAC4NPC1
SCHEMBL261831 0.90 KDM4E (0.47) KDM4EL3MBTL1ATMHDAC4NPC1
SCHEMBL11965529 0.87 ALK (0.39) KDM4EL3MBTL1ATMPAX8REN
SCHEMBL16482263 0.85 L3MBTL1 (0.43) KDM4EL3MBTL1ATMHDAC4AKR1C4
SCHEMBL13141959 0.85 MKNK1 (0.36) RENLTA4HCYP17A1CYP3A4CYP11B1

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-20160268516-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, LIGHT EMITTING DEVICE, AND LIGHT EMITTING MATERIAL Konica Minolta, Inc. (JP) 2016-09-15 US disclosed
US-20160268516-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, LIGHT EMITTING DEVICE, AND LIGHT EMITTING MATERIAL Konica Minolta, Inc. (JP) 2016-09-15 US disclosed