SCHEMBL23770748

SCHEMBL23770748

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PTPN11 Q06124 1/20 0.32
PRKCA P17252 2/20 0.31
PRKCQ Q04759 2/20 0.31
TACR1 P25103 2/20 0.31
GRIN2B Q13224 1/20 0.30
P2RX7 Q99572 1/20 0.30
RBP4 P02753 1/20 0.30
TTR P02766 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK2A1 P68400 1/20 0.30
STK3 Q13188 1/20 0.30
HIPK4 Q8NE63 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL23770795 0.91 ABL1 (0.34) RORCTACR1
SCHEMBL23770416 0.89 PTPN11 (0.37) PTPN11PRKCAPRKCQGSK3B
SCHEMBL23770787 0.86 PDE10A (0.35) TACR1
SCHEMBL23770780 0.86 PRKCA (0.33) RORCPRKCAPRKCQTTR
SCHEMBL23770621 0.86 PDE10A (0.35) TACR1
SCHEMBL23770477 0.84 MAPK10 (0.36) RORCGRIN2B
SCHEMBL23770464 0.83 LMNA (0.34) TACR1P2RX7
SCHEMBL23770448 0.83 CKS1B (0.40)
SCHEMBL23770480 0.83 GRIN2B (0.33) GRIN2B
SCHEMBL19925001 0.82 RORC (0.35) RORCPTPN11TACR1GRIN2BRBP4

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