SCHEMBL29250321

SCHEMBL29250321

c1ccc(-c2cnc3c(ccc4ccc(-c5ccccc5)nc43)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PARP1 P09874 2/20 0.48
AXL P30530 1/20 0.44
CDK8 P49336 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ACVR1 Q04771 1/20 0.40
CYP2A6 P11509 1/20 0.39
TOP1 P11387 1/20 0.39

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
SCHEMBL18806866 0.93 KDM4E (0.55) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL14900765 0.93 KDM4E (0.47) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL25850634 0.93 KDM4E (0.51) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL29314792 0.92 KDM4E (0.51) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL29314796 0.92 KDM4E (0.51) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL17899321 0.92 KDM4E (0.54) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL26364628 0.92 KDM4E (0.50) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL17899317 0.91 KDM4E (0.53) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL12112703 0.90 KDM4E (0.46) KDM4EPARP1AXLCDK8EGLN3
SCHEMBL17899323 0.89 KDM4E (0.43) KDM4EPARP1EGLN3MEN1RAB9A

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
CN-112687813-B Organic light emitting diode and organic light emitting device including the same 乐金显示有限公司 2024-05-07 CN disclosed