SCHEMBL31408776

SCHEMBL31408776

[N-]=[N+]=NS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.57
▸ PRSS1 P07477 3/20 0.57
▸ PRSS2 P07478 3/20 0.57
▸ PRSS3 P35030 3/20 0.57
▸ LMNA P02545 1/20 0.55
▸ CA2 P00918 4/20 0.53
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA4 P22748 2/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ POLB P06746 2/20 0.44
▸ CYP19A1 P11511 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39

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
SCHEMBL5401910 0.87 CA1 (0.43) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL10829353 0.81 LMNA (0.44) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL6654348 0.81 CA1 (0.39) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL6541927 0.79 KMT2A (0.46) ALDH1A1CYP3A4
SCHEMBL11593746 0.79 NFE2L2 (0.41) CA2CA12CA1CA9PKM
SCHEMBL11595009 0.79 PGR (0.44) ALDH1A1PKM
SCHEMBL25074811 0.78 NFE2L2 (0.46) F2PRSS1PRSS2PRSS3CA2
SCHEMBL9816601 0.77 PGR (0.39) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL3090434 0.77 F2 (0.52) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL14524374 0.77 F2 (0.65) F2PRSS1PRSS2PRSS3LMNA

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
WO-2025108234-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦药物研究院有限公司 2025-05-30 — — WO disclosed
CN-119504808-A Compound, preparation method and application thereof 四川科伦药物研究院有限公司 2025-02-25 — — CN disclosed
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