SCHEMBL20205452

SCHEMBL20205452

CC1(C)c2cc(-c3cccc4ccccc34)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(-c2cccc4ccccc24)c2c(oc4ccccc42)c1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL23351967 0.95 ALOX5 (0.33) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL20205449 0.93 ALOX5 (0.36) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL24649647 0.92 MAOA (0.32) ALOX5MAOAMAOBPGRGPR84
SCHEMBL20205376 0.92 ALOX5 (0.36) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL23351763 0.91 MAOA (0.36) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL20205523 0.90 ALOX5 (0.36) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL24649650 0.88 ALOX5 (0.33) ALOX5CYP2C19
SCHEMBL24649835 0.88 CDC14B (0.39) ALOX5PGRHPGDMAPTMEN1
SCHEMBL20205712 0.87 MAOA (0.34) ALOX5MAOAMAOBL3MBTL1TDP1
SCHEMBL20205332 0.87 CDC14B (0.38) ALOX5PGRHPGDMAPTMEN1

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
EP-3544985-B1 BISBENZOFURAN-FUSED INDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2021-05-12 — — EP disclosed
WO-2018095940-A1 BISBENZOFURAN-FUSED INDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2018-05-31 — — WO disclosed
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