SCHEMBL28860220

SCHEMBL28860220

O=CN(S)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27515999 0.75 CYP2D6 (0.40) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL28140113 0.72 — —
SCHEMBL6274810 0.68 KDM4E (0.34) TRIM24TRIM33KDM4EMEN1NPC1
SCHEMBL14315568 0.67 — —
SCHEMBL27740550 0.67 ALDH1A1 (0.34) —
SCHEMBL27862268 0.66 POLB (0.39) KDM4EHSP90AA1
SCHEMBL28322497 0.66 — —
SCHEMBL27768292 0.65 CHRM5 (0.42) MEN1NPC1HSP90AA1RAB9AKMT2A
SCHEMBL27803600 0.63 ALDH1A1 (0.39) KDM4EMEN1NPC1HSP90AA1RAB9A
SCHEMBL1760047 0.61 — —

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-108137571-A P2X7Inhibitors of receptors H.隆德贝克有限公司 2018-06-08 — — CN disclosed
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