SCHEMBL23770612

SCHEMBL23770612

CC(C)(C)OC(=O)N1CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
KIF18A Q8NI77 1/20 0.37
P2RX3 P56373 1/20 0.36
PDK2 Q15119 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL23770697 0.90 CKS1B (0.41) GPR119CKS1BSKP1SKP2HRH3
SCHEMBL29464361 0.84 CKS1B (0.39) GPR119CKS1BSKP1SKP2HRH3
SCHEMBL19968827 0.84 CKS1B (0.39) GPR119CKS1BSKP1SKP2HRH3
SCHEMBL23770497 0.83 RBP4 (0.35) HRH3
SCHEMBL23770628 0.82 CYP1A2 (0.42)
SCHEMBL23770686 0.81 RBP4 (0.35)
SCHEMBL23770810 0.81 MPL (0.32)
SCHEMBL23770498 0.81 CHRNA7 (0.31)
SCHEMBL23770721 0.80 GPBAR1 (0.33)
SCHEMBL23770635 0.80 IDH2 (0.39)

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