SCHEMBL29412636

SCHEMBL29412636

CN(C)Cc1cc(Cl)cc(C(=O)NN=C(c2ccccn2)c2ccccn2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.49
▸ AGTR1 P30556 8/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ NCOA3 Q9Y6Q9 2/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ OPRK1 P41145 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ GAA P10253 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HTT P42858 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MITF O75030 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL29412628 1.00 RAB9A (0.49) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL30446287 0.77 KCNMA1 (0.60) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL12720802 0.73 AGTR1 (0.71) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL12720811 0.71 AGTR1 (0.58) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL27177866 0.67 OPRK1 (0.77) RAB9AAGTR1NPC1OPRK1KMT2A
SCHEMBL27177860 0.67 OPRK1 (0.77) RAB9AAGTR1NPC1OPRK1KMT2A
SCHEMBL12720825 0.67 AGTR1 (0.66) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL1028452 0.67 AGTR1 (0.91) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL12955841 0.66 AGTR1 (0.60) RAB9AAGTR1NPC1NCOA3NCOA1
SCHEMBL1028098 0.66 AGTR1 (0.74) RAB9AAGTR1NPC1NCOA3NCOA1

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-4204401-A1 COMPOUNDS FOR AND METHODS OF TREATING DISEASES Alterity Therapeutics Limited (AU) 2023-07-05 — — EP disclosed
WO-2022040747-A1 COMPOUNDS FOR AND METHODS OF TREATING DISEASES Alterity Therapeutics Limited (AU) 2022-03-03 — — WO disclosed
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