SCHEMBL12731981

SCHEMBL12731981

c1ccc(-c2c(-c3cnc4c(ccc5cccnc54)c3)cc(-c3cccnc3)c3c2-c2cccc4cccc-3c24)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
PDK2 Q15119 2/20 0.37
PARP1 P09874 1/20 0.37
CYP2C9 P11712 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL12731968 0.93 CCR1 (0.43) KDM4EL3MBTL1NPC1RAB9ACCR1
SCHEMBL12731986 0.90 KDM4E (0.46) KDM4EL3MBTL1NPC1RAB9ACYP2A6
SCHEMBL2734550 0.87 KDM4E (0.46) KDM4EL3MBTL1PARP1PDGFRBPDGFRA
SCHEMBL2734079 0.87 CYP11B1 (0.49) KDM4ERAB9ACYP2A6CYP11B1CYP11B2
SCHEMBL12731993 0.86 CCR1 (0.47) KDM4EL3MBTL1NPC1RAB9ACYP2A6
SCHEMBL251545 0.86 CYP11B1 (0.48) KDM4ERAB9ACYP2A6CYP11B1CYP11B2
SCHEMBL12731982 0.85 CCR1 (0.42) KDM4ECYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL12731988 0.84 CCR1 (0.39) KDM4EL3MBTL1NPC1RAB9ACCR1
SCHEMBL12731978 0.83 TNF (0.50) KDM4ECYP2A6PARP1MAPT
SCHEMBL2733773 0.83 CYP11B1 (0.41) KDM4EL3MBTL1NPC1RAB9ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7931975-B2 Electroluminescent device containing a flouranthene compound GLOBAL OLED TECHNOLOGY LLC (US) 2011-04-26 US disclosed
US-7931975-B2 Electroluminescent device containing a flouranthene compound GLOBAL OLED TECHNOLOGY LLC (US) 2011-04-26 US disclosed
US-20100117519-A1 ELECTROLUMINESCENT DEVICE CONTAINING A FLOURANTHENE COMPOUND GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed
US-20100117519-A1 ELECTROLUMINESCENT DEVICE CONTAINING A FLOURANTHENE COMPOUND GLOBAL OLED TECHNOLOGY LLC 2010-05-13 US disclosed