SCHEMBL28946509

SCHEMBL28946509

CCCCOc1nc(CNCCCCCN2CCCC2)c(OC(N)=O)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL27213626 0.87 POLB (0.40) POLBMAPTKMT2AHRH3BCHE
SCHEMBL28802697 0.86 TLR7 (0.38) KMT2AHRH3CYP2D6
SCHEMBL28802701 0.85 TLR7 (0.43) MAPTCYP2D6
SCHEMBL28802649 0.85 TLR7 (0.37) HRH3CYP2D6
SCHEMBL24733112 0.84 POLB (0.36) POLBMAPTKMT2AHRH3BCHE
SCHEMBL30947337 0.84 POLB (0.36) POLBMAPTKMT2AHRH3BCHE
SCHEMBL28802613 0.82 TLR7 (0.41) KMT2A
SCHEMBL28802651 0.80 USP2 (0.38) MAPTCYP2D6
SCHEMBL28802743 0.79 USP2 (0.37) MAPTCYP2D6
SCHEMBL29756236 0.75 HRH3 (0.41) POLBMAPTHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed