SCHEMBL28556832

SCHEMBL28556832

CC1CCC(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C1.[N-]=[N+]=Nc1cccc(N=[N+]=[N-])c1C=O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMO Q99835 1/20 0.30

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
SCHEMBL27547767 0.88 NPC1 (0.38) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL28506358 0.77 MAPT (0.43) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL28423544 0.76 — —
SCHEMBL28392156 0.75 TXNRD1 (0.34) SMO
SCHEMBL29145325 0.74 MAPT (0.35) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL27641557 0.74 MAPT (0.36) NPC1HSP90AA1MAPTHTTRAB9A
SCHEMBL13886925 0.73 MAPT (0.55) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL13861280 0.73 MAPT (0.55) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL13882616 0.73 MAPT (0.55) NPC1HSP90AA1MAPTMAPK1HTT
SCHEMBL13858828 0.73 MAPT (0.55) NPC1HSP90AA1MAPTMAPK1HTT

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-112752802-A Acrylic coating composition containing inorganic oxide particles 日产化学株式会社 2021-05-04 — — CN disclosed
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