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SCHEMBL20444376

SCHEMBL20444376

Brc1cccc2cccc(N3c4ccc(-c5ccccc5)cc4C4(c5ccccc5-c5ccccc54)c4cc(-c5ccccc5)ccc43)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.42
▸ PDK2 Q15119 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BRD1 O95696 1/20 0.30
▸ TAF1 P21675 1/20 0.30
▸ BRPF1 P55201 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
SCHEMBL20444549 0.86 PDE6D (0.35) PDE6DPDK2ALDH1A1MAPK1BRD1
SCHEMBL24891141 0.81 PDE6D (0.43) PDE6DPDK2
SCHEMBL16629682 0.81 PDE6D (0.39) PDE6DPDK2ALDH1A1
SCHEMBL20444373 0.80 PDE6D (0.33) PDE6D
SCHEMBL20444556 0.76 PDE6D (0.41) PDE6DALDH1A1MAPK1
SCHEMBL15030839 0.76 PDK2 (0.41) PDE6DPDK2ALDH1A1
SCHEMBL15213627 0.76 PDK2 (0.37) PDE6DPDK2
SCHEMBL15030670 0.75 PDK2 (0.35) PDE6DPDK2
SCHEMBL20444565 0.75 PDE6D (0.33) PDE6DALDH1A1MAPK1
SCHEMBL25495732 0.75 PDK2 (0.39) PDE6DPDK2

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-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 — — EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 — — WO disclosed
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