SCHEMBL23770865

SCHEMBL23770865

Cc1ccccc1-c1nc(NSc2cccc(N3CCC4(CC3)CC(C(=O)O)C4)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.35
RBP4 P02753 2/20 0.33
TTR P02766 1/20 0.33
MPL P40238 2/20 0.32
GRIN2B Q13224 1/20 0.31
TACR1 P25103 2/20 0.31
PTPN11 Q06124 1/20 0.31
CYP2C9 P11712 2/20 0.30
EPHX2 P34913 2/20 0.30
RORC P51449 1/20 0.30
KIF18A Q8NI77 6/20 0.30
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23770806 0.89 RBP4 (0.36) RBP4TTRMPLGRIN2BRORC
SCHEMBL23770608 0.87 NOTUM (0.41) TTRMPLRORC
SCHEMBL23770825 0.86 KHK (0.40) KHKRBP4TTRGRIN2B
SCHEMBL23770488 0.85 ITGB2 (0.40) TTRMPLHSD11B1MEN1KMT2A
SCHEMBL23770832 0.84 RBP4 (0.33) RBP4TTRGRIN2BPTPN11RORC
SCHEMBL19925206 0.84 KHK (0.36) KHKRBP4TTRMPLKIF18A
SCHEMBL23770863 0.84 KHK (0.37) KHK
SCHEMBL23770433 0.83 PDE10A (0.36) TACR1CYP2C9MEN1KMT2A
SCHEMBL23770723 0.83 PTPN11 (0.35) TACR1PTPN11
SCHEMBL23770664 0.83 NPY5R (0.36) TACR1CYP2C9MEN1KMT2A

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