SCHEMBL20444549

SCHEMBL20444549

Brc1cccc2cccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ HSD17B10 Q99714 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD1 O95696 1/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ DHFR P00374 2/20 0.32
▸ TYMS P04818 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.31
▸ MAPT P10636 5/20 0.31
▸ HPGD P15428 4/20 0.31
▸ GAA P10253 3/20 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
SCHEMBL20444376 0.86 PDE6D (0.42) PDE6DPDK2ALDH1A1MAPK1BRD1
SCHEMBL20444565 0.85 PDE6D (0.33) PDE6DMEN1KMT2AALDH1A1HSD17B10
SCHEMBL20444739 0.81 MAPT (0.40) MEN1KMT2AALDH1A1HSD17B10MAPK1
SCHEMBL20444647 0.79 ALDH1A1 (0.43) PDE6DMEN1KMT2AALDH1A1HSD17B10
SCHEMBL20444324 0.79 PDE6D (0.38) PDE6DMEN1KMT2AALDH1A1HSD17B10
SCHEMBL17954511 0.78 PDK2 (0.39) PDE6DMEN1KMT2APDK2ALDH1A1
SCHEMBL17816794 0.76 KDM4E (0.35) MEN1KMT2APDK2ALDH1A1HSD17B10
SCHEMBL16750866 0.75 PDK2 (0.43) PDE6DMEN1KMT2APDK2ALDH1A1
SCHEMBL31619500 0.75 PDK2 (0.43) PDE6DMEN1KMT2APDK2ALDH1A1
SCHEMBL30968562 0.74 MAPK1 (0.42) MEN1KMT2APDK2ALDH1A1HSD17B10

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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