SCHEMBL31363915

SCHEMBL31363915

C#CCNc1cc(S(C)(=O)=O)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL30870921 1.00 SMN1; SMN2 (0.51) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL23144748 0.88 TOP2B (0.48) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL25325370 0.79 TOP2B (0.40) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL30099039 0.78 LRRK2 (0.42) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL25033550 0.78 LRRK2 (0.42) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL23144768 0.77 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL29812039 0.77 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL23143891 0.77 CA12 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL23144126 0.77 CA12 (0.45) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL23156236 0.77 LRRK2 (0.44) SMN1; SMN2ALDH1A1LMNATSHRPOLB

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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