SCHEMBL20444741

SCHEMBL20444741

Brc1cccc2cccc(N3c4ccccc4Sc4ccccc43)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ BCHE P06276 12/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SLC6A3 Q01959 2/20 0.38
▸ HPGD P15428 1/20 0.36
▸ ACHE P22303 3/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ TYMS P04818 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL20444556 0.82 PDE6D (0.41) BCHENOX1
SCHEMBL14550947 0.81 MGLL (0.50) MAOABCHEHDAC6SLC6A3HPGD
SCHEMBL29988246 0.81 MGLL (0.50) MAOABCHEHDAC6SLC6A3HPGD
SCHEMBL20444647 0.77 ALDH1A1 (0.43) HPGDMGLL
SCHEMBL29843848 0.76 KMT2A (0.42) HPGDMGLL
SCHEMBL20424965 0.76 KMT2A (0.42) HPGDMGLL
SCHEMBL20424618 0.76 KDM4E (0.42) HPGDTYMSMGLL
SCHEMBL29843803 0.76 KDM4E (0.42) HPGDTYMSMGLL
SCHEMBL17954507 0.76 MEN1 (0.38) MAOABCHEHDAC6SLC6A3HPGD
SCHEMBL20444699 0.74 BCHE (0.44) MAOABCHEHDAC6SLC6A3HPGD

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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