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SCHEMBL13806925

SCHEMBL13806925

Cc1cc(N(c2ccccc2)c2cccc3ccccc23)ccc1-c1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3C)c3cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4C)ccc3c(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GPR84 Q9NQS5 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
SCHEMBL24604545 0.88 SIGMAR1 (0.38) SIGMAR1CA12CA1CA2CA9
SCHEMBL13806943 0.87 MCL1 (0.40) CA12CA1CA2CA9SOS1
SCHEMBL13806964 0.87 MCL1 (0.40) CA12CA1CA2CA9SOS1
SCHEMBL13806997 0.84 MCL1 (0.39) CA12CA1CA2CA9SOS1
SCHEMBL24514812 0.84 SIGMAR1 (0.40) SIGMAR1CA12CA1CA2CA9
SCHEMBL12888156 0.83 CA12 (0.41) SIGMAR1CA12CA1CA2CA9
SCHEMBL13806984 0.83 CA12 (0.36) SIGMAR1CA12CA1CA2CA9
SCHEMBL19292151 0.83 CA12 (0.39) SIGMAR1CA12CA1CA2CA9
SCHEMBL23513194 0.83 SIGMAR1 (0.41) SIGMAR1CA12CA1CA2CA9
SCHEMBL15762762 0.82 ESR1 (0.34) SIGMAR1ESR1ESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999226-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-08-12 — — EP disclosed
US-8999521-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-04-07 — — US disclosed
US-8999521-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-04-07 — — US disclosed
US-20090146139-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-06-11 — — US disclosed
US-20090146139-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-06-11 — — US disclosed
WO-2007110129-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-10-04 — — WO disclosed
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