SCHEMBL25477018

SCHEMBL25477018

C1=CC(c2ccc3ccccc3c2)Nc2c1ccc1c2NC(c2ccc3ccc(C4C=Cc5ccc6c(c5N4)NC(c4ccc5ccccc5c4)C=C6)cc3c2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 10/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 7/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
MMP13 P45452 1/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM1A O60341 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL20709301 0.73 CCR1 (0.34) KDM4ECYP2D6MMP13
SCHEMBL21074298 0.70 HTR2B (0.32) KDM4ECYP2D6MMP13HTR2B
SCHEMBL22970179 0.68 KDM4E (0.34) KDM4ECYP2D6
SCHEMBL21468373 0.67 PARP1 (0.36)
SCHEMBL14754408 0.65 KDM4E (0.42) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL15814919 0.65 KDM4E (0.46) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL28025942 0.63 KDM4E (0.45) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL27999787 0.63 KDM4E (0.41) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16615070 0.63 KDM4E (0.47) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8677188 0.62 KDM4E (0.40) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6

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-2023080187-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2023-05-11 WO disclosed