SCHEMBL23770477

SCHEMBL23770477

COc1ccc(Cl)c(-c2nc(N[S+]([O-])c3cccc(N4CCC(C)(C(=O)O)CC4)n3)ccc2C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.36
RORC P51449 1/20 0.35
GRIN2B Q13224 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KRAS P01116 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
PHGDH O43175 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2C P28335 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RET P07949 3/20 0.31
BRAF P15056 2/20 0.31
EIF4E P06730 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23770833 0.86 ADRB2 (0.39) MAPK10PHGDHCYP1A2HTR2CHSD17B10
SCHEMBL23770733 0.85 PDE10A (0.32) MAPK10GRIN2BTRPV1KRASMAPT
SCHEMBL23770748 0.84 RORC (0.33) RORCGRIN2B
SCHEMBL19927716 0.84 RORC (0.37) MAPK10RORCGRIN2BTRPV1KRAS
SCHEMBL23770795 0.83 ABL1 (0.34) RORCBRAF
SCHEMBL23770780 0.80 PRKCA (0.33) RORCHCRTR1HCRTR2
SCHEMBL23770734 0.76 HCRTR1 (0.35) MAPK10GRIN2BTRPV1KRASMAPT
SCHEMBL19970017 0.76 HCRTR1 (0.35) MAPK10GRIN2BTRPV1KRASMAPT
SCHEMBL19927763 0.76 HCRTR1 (0.34) MAPK10RORCGRIN2BTRPV1KRAS
SCHEMBL19927760 0.76 HCRTR1 (0.34) MAPK10RORCGRIN2BTRPV1KRAS

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