SCHEMBL30446287

SCHEMBL30446287

O=C(NN=C(c1ccccn1)c1ccccn1)c1cc(Cl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.60
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ AGTR1 P30556 4/20 0.58
▸ NCOA1 Q15788 1/20 0.58
▸ NCOA3 Q9Y6Q9 1/20 0.58
▸ OPRK1 P41145 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ GAA P10253 4/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ TMPRSS4 Q9NRS4 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL12720811 0.82 AGTR1 (0.58) NPC1RAB9AAGTR1NCOA1NCOA3
SCHEMBL12720802 0.81 AGTR1 (0.71) NPC1RAB9AAGTR1NCOA1NCOA3
SCHEMBL29412628 0.77 RAB9A (0.49) NPC1RAB9AAGTR1NCOA1NCOA3
SCHEMBL29412636 0.77 RAB9A (0.49) NPC1RAB9AAGTR1NCOA1NCOA3
SCHEMBL27177866 0.77 OPRK1 (0.77) NPC1RAB9AAGTR1OPRK1KMT2A
SCHEMBL27177860 0.77 OPRK1 (0.77) NPC1RAB9AAGTR1OPRK1KMT2A
SCHEMBL12720819 0.75 AGTR1 (0.71) NPC1RAB9AAGTR1NCOA1NCOA3
SCHEMBL14886092 0.75 KCNMA1 (1.00) KCNMA1NPC1RAB9AKMT2AMEN1
SCHEMBL27178078 0.74 OPRK1 (0.77) NPC1RAB9AAGTR1OPRK1KMT2A
SCHEMBL27178063 0.74 OPRK1 (0.77) NPC1RAB9AAGTR1OPRK1KMT2A

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
CN-116323558-A Compounds and methods for treating diseases 艾特里提治疗有限公司 2023-06-23 — — CN disclosed
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