SCHEMBL23627445

SCHEMBL23627445

Nc1cnc(C#CSI)cn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL18714259 0.74 DRD2 (0.34) —
SCHEMBL22911966 0.74 — —
SCHEMBL24078827 0.72 SIRT6 (0.36) —
SCHEMBL18722778 0.71 MTOR (0.40) NOS3NOS2
SCHEMBL23627444 0.69 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL29317272 0.68 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL29578164 0.67 — —
SCHEMBL2031652 0.67 — —
SCHEMBL26178491 0.67 — —
SCHEMBL20935616 0.67 KDM4E (0.33) —

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
WO-2021136464-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2021-07-08 — — WO disclosed
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