SCHEMBL29412634

SCHEMBL29412634

C/C(=N\NC(=O)c1ccccn1)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.61
▸ RAB9A P51151 9/20 0.61
▸ GAA P10253 5/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ AGTR1 P30556 6/20 0.60
▸ POLB P06746 2/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ OPRK1 P41145 4/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ PKM P14618 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56

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
SCHEMBL12720839 0.86 NPC1 (0.70) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL12720817 0.85 NPC1 (0.76) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL12720926 0.83 NPC1 (0.60) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL27178051 0.80 NPC1 (0.70) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL27178164 0.80 NPC1 (0.70) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL27178057 0.80 NPC1 (0.70) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL12720841 0.77 RAB9A (0.88) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL30873792 0.77 RAB9A (0.72) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL30826075 0.77 NPC1 (0.52) NPC1RAB9AGAAKMT2AAGTR1
SCHEMBL27178185 0.77 NPC1 (0.52) NPC1RAB9AGAAKMT2AAGTR1

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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