SCHEMBL2587092

SCHEMBL2587092

Brc1c2ccccc2c(-c2cc[c]cc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL3740207 0.84 ACHE (0.45) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL3000291 0.84 KDM4E (0.42) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL30396122 0.81 MAPK1 (0.50) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL295397 0.81 MAPK1 (0.50) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL12560663 0.79 MAPK1 (0.48) KDM4EL3MBTL1MAPTMAPK1TDP1
Biphenyl SCHEMBL27626716 0.79 MAPK1 (0.48) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL2185513 0.79 MAPK1 (0.48) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL7771802 0.78 ACHE (0.36) KDM4EL3MBTL1MAPTMAPK1CYP1A2
SCHEMBL27807385 0.78 KDM4E (0.33) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL12560730 0.77 MAPK1 (0.50) KDM4EL3MBTL1MAPTMAPK1TDP1

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-2011120626-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-10-06 — — WO disclosed
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