SCHEMBL23600665

SCHEMBL23600665

N=C(/N=C(\Nn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21)c1ccccc1)c1ccc(-c2cccc(-c3ccccc3)n2)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
PTK2B Q14289 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
HDAC3 O15379 1/20 0.30

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
SCHEMBL26059155 0.93 HDAC4 (0.34) PTGER4HDAC3
SCHEMBL23600674 0.90 KMT2A (0.37) ADORA3KMT2AMAPTPTK2BNPSR1
SCHEMBL26059223 0.90 HDAC4 (0.30)
SCHEMBL23600668 0.88 RAC2 (0.31) KMT2AMEN1
SCHEMBL21153895 0.87 L3MBTL1 (0.36) PTGER4KMT2AMAPTMEN1
SCHEMBL21153897 0.87 KDM4E (0.38) PTGER4
SCHEMBL21154286 0.86 KDM4E (0.31)
SCHEMBL26059224 0.86
SCHEMBL26058811 0.86 KMT2A (0.34) ADORA3KMT2AMAPTPTK2BNPSR1
SCHEMBL26058400 0.85 KDM4E (0.31) KMT2AMAPTMEN1

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-2021131770-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2021-07-01 WO disclosed