SCHEMBL17899280

SCHEMBL17899280

c1ccc(-c2ccc3ccc4cc(-c5cccc6cc7c(-c8cnc9c(ccc%10ccc(-c%11ccccc%11)nc%109)c8)cccc7cc56)cnc4c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PARP1 P09874 2/20 0.43
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TNF P01375 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
CLK2 P49760 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
DYRK2 Q92630 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
HIPK3 Q9H422 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL17899323 0.88 KDM4E (0.43) KDM4EPARP1IDO1TDO2PIM1
SCHEMBL25850634 0.84 KDM4E (0.51) KDM4EPARP1PIM1PIM2MEN1
SCHEMBL29250321 0.84 KDM4E (0.54) KDM4EPARP1MEN1RAB9AKMT2A
SCHEMBL26364628 0.82 KDM4E (0.50) KDM4EPARP1PIM1PIM2MEN1
SCHEMBL17899279 0.81 KDM4E (0.42) KDM4EPARP1IDO1TDO2PIM1
SCHEMBL18806866 0.81 KDM4E (0.55) KDM4EPARP1MEN1RAB9AKMT2A
SCHEMBL14900765 0.81 KDM4E (0.47) KDM4EPARP1PIM1PIM2MEN1
SCHEMBL17899281 0.81 CCR1 (0.54) KDM4ERAB9ACCR1CCR5CCR8
SCHEMBL25850570 0.81 KDM4E (0.44) KDM4EPARP1IDO1TDO2PIM1
SCHEMBL29314792 0.80 KDM4E (0.51) KDM4EPARP1PIM1PIM2MEN1

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed