SCHEMBL23770448

SCHEMBL23770448

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
KIF18A Q8NI77 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
MAPT P10636 2/20 0.37
PDK2 Q15119 1/20 0.37
ACHE P22303 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAP4K4 O95819 1/20 0.36
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35

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
SCHEMBL23770464 0.87 LMNA (0.34) MAPTLMNA
SCHEMBL23770787 0.85 PDE10A (0.35) LMNA
SCHEMBL23770621 0.84 PDE10A (0.35) ACHELMNA
SCHEMBL23770748 0.83 RORC (0.33)
SCHEMBL23770697 0.83 CKS1B (0.41) CKS1BSKP1SKP2KIF18ASMARCA2
SCHEMBL23770712 0.83 NPC1 (0.33)
SCHEMBL19925175 0.82 CKS1B (0.41) CKS1BSKP1SKP2KIF18ASMARCA2
SCHEMBL29464343 0.82 CKS1B (0.41) CKS1BSKP1SKP2KIF18ASMARCA2
SCHEMBL23770416 0.81 PTPN11 (0.37)
SCHEMBL23770480 0.80 GRIN2B (0.33)

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