SCHEMBL31634087

SCHEMBL31634087

C#CCNc1cccc2c1OC(S(C)(=O)=O)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.36
▸ MAOA P21397 9/20 0.36
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR6 P50406 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
SCHEMBL31634085 0.72 PARP1 (0.38) MAOBMAOACA1CA2
SCHEMBL31634114 0.72 NLRP3 (0.39) CA2ACHE
SCHEMBL31634096 0.71 — —
SCHEMBL31634078 0.67 RORC (0.31) —
SCHEMBL31304800 0.61 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL5847618 0.60 CYP2D6 (0.52) CYP2D6OPRK1
SCHEMBL5847615 0.60 CYP2D6 (0.52) CYP2D6OPRK1
SCHEMBL31363366 0.60 LRRK2 (0.34) MAOBMAOACA12CA1CA2
SCHEMBL8180959 0.58 ALOX15 (0.36) MAOB
SCHEMBL7855747 0.58 MAOA (0.43) MAOBMAOACA12CA1CA2

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-120192307-A Compounds targeting p53 mutations 上海齐鲁制药研究中心有限公司 2025-06-24 — — CN disclosed
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