SCHEMBL23770440

SCHEMBL23770440

Cc1cc(C#N)ccc1-c1nc(N[S+]([O-])c2ccnc(N)c2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.37
▸ KCNH2 Q12809 5/20 0.37
▸ EGLN2 Q96KS0 3/20 0.36
▸ MAP4K1 Q92918 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ EIF4E P06730 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 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
SCHEMBL19925191 0.77 SCN9A (0.53) SCN9AEGLN2
SCHEMBL29464395 0.77 SCN9A (0.53) SCN9AEGLN2
SCHEMBL23770430 0.71 ABL1 (0.33) KCNH2EGLN2MAP4K1CDC7CDK2
SCHEMBL23770611 0.71 EGLN2 (0.36) SCN9AKCNH2EGLN2MAP4K1HSP90AB1
SCHEMBL19951268 0.70 SCN9A (0.45) SCN9A
SCHEMBL19951427 0.69 HSD11B1 (0.46) SCN9AEGLN2HSP90AB1
SCHEMBL3362493 0.68 EGLN2 (0.44) EGLN2MAP4K1HSP90AB1MAP3K14EIF4E
SCHEMBL3361910 0.67 CYP11B2 (0.42) SCN9AKCNH2EGLN2EIF4E
SCHEMBL3366217 0.67 KCNH2 (0.52) KCNH2EGLN2CDC7CDK2GSK3B
SCHEMBL23770442 0.65 EGLN2 (0.38) KCNH2EGLN2CDC7CDK2EIF4E

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 — — EP disclosed
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