SCHEMBL30353083

SCHEMBL30353083

Cc1ncsc1-c1cc(Oc2cc(C#N)ccc2-c2ncc(CN)cn2)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL25417374 1.00 NSD2 (0.33) NSD2SCN9A
SCHEMBL30353121 0.88 NSD2 (0.35) NSD2SCN9A
SCHEMBL25555473 0.88 NSD2 (0.35) NSD2SCN9A
SCHEMBL25555462 0.85 GAA (0.37) NSD2SCN9A
SCHEMBL25555430 0.85 NSD2 (0.35) NSD2SCN9A
SCHEMBL30257383 0.84 NSD2 (0.34) NSD2SCN9A
SCHEMBL28989168 0.84 NSD2 (0.34) NSD2SCN9A
SCHEMBL25555463 0.84 NSD2 (0.33) NSD2SCN9A
SCHEMBL30353060 0.84 SCN9A (0.41) NSD2SCN9A
SCHEMBL25554317 0.84 SCN9A (0.41) NSD2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed