SCHEMBL23770649

SCHEMBL23770649

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCC(N)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.34
PIM2 Q9P1W9 5/20 0.34
PIM3 Q86V86 4/20 0.34
PTPN11 Q06124 1/20 0.33
SYK P43405 1/20 0.33
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
DPP4 P27487 2/20 0.32
KARS1 Q15046 1/20 0.32
CTSS P25774 1/20 0.31
PRKCQ Q04759 1/20 0.31
TTR P02766 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
MEN1 O00255 1/20 0.31
HTR3B O95264 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL23770787 0.87 PDE10A (0.35) CYP1A2CYP2D6TSHR
SCHEMBL23770621 0.86 PDE10A (0.35) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL23770416 0.84 PTPN11 (0.37) PTPN11PRKCQ
SCHEMBL23770766 0.83 PRKCQ (0.35) PIM1PIM2PIM3PRKCQCYP1A2
SCHEMBL23770662 0.82 GRIN2B (0.31)
SCHEMBL23770634 0.82 CYP1A2 (0.34) CYP1A2
SCHEMBL23770480 0.81 GRIN2B (0.33)
SCHEMBL23770712 0.81 NPC1 (0.33) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL23770464 0.81 LMNA (0.34)
SCHEMBL19925084 0.80 CTSS (0.36) PTPN11SYKHRH4HRH3DPP4

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