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Sugi Predict / Compounds / SCHEMBL19001706

SCHEMBL19001706

SCHEMBL19001706

O=C1c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7cccc(-c8cccc(-c9cc(-c%10ccccc%10)cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-%11)c%11ccccc%11-c%11c(Br)cccc%11%10)c9)c8)c7)cc(-c7ccc8c(c7)C(=O)c7ccccc7-8)c6)cc5)c4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ PTBP1 P26599 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GALK1 P51570 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SMAD3 P84022 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDK2 Q15119 7/20 0.37
▸ PTPRC P08575 5/20 0.35

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
SCHEMBL19001985 0.91 PDK2 (0.43) MEN1APAF1NPC1LMNAMAPT
SCHEMBL15840175 0.88 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT
SCHEMBL19001702 0.88 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT
SCHEMBL15840172 0.88 PDK2 (0.46) MEN1APAF1NPC1LMNAMAPT
SCHEMBL19001861 0.83 PDK2 (0.43) MEN1APAF1NPC1LMNAMAPT
SCHEMBL10057974 0.83 MEN1 (0.49) MEN1APAF1NPC1LMNAMAPT
SCHEMBL19001701 0.81 PDK2 (0.42) PDK2
SCHEMBL16810777 0.81 PDK2 (0.42) PDK2
SCHEMBL10057540 0.81 MEN1 (0.49) MEN1APAF1NPC1LMNAMAPT
SCHEMBL16810810 0.81 PDK2 (0.42) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed