SCHEMBL20259997

SCHEMBL20259997

CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(Br)cc5)ccc4n(-c4ccccc4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL15871212 0.95 RXFP1 (0.32) RXFP1
SCHEMBL802707 0.94 PGR (0.36) PGRKDM4EATML3MBTL1
SCHEMBL19383155 0.93 PDK2 (0.36) PGRKDM4EATML3MBTL1MEN1
SCHEMBL10001497 0.93 PGR (0.35) PGRKDM4EATML3MBTL1
SCHEMBL10001519 0.93 PGR (0.35) PGRKDM4EATML3MBTL1
SCHEMBL783418 0.93 PGR (0.37) PGRKDM4EATML3MBTL1MEN1
SCHEMBL14822310 0.93 PGR (0.37) PGRKDM4EATML3MBTL1MEN1
SCHEMBL10001350 0.92 PGR (0.35) PGRKDM4EATML3MBTL1
SCHEMBL10001471 0.92 PGR (0.35) PGRKDM4EATML3MBTL1
SCHEMBL14979129 0.91 PGR (0.33) PGRKDM4EATML3MBTL1

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-3548485-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-20 — — EP disclosed
WO-2018104193-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-06-14 — — WO disclosed
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