SCHEMBL23770780

SCHEMBL23770780

CC(C)COc1ccccc1-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 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.33
PRKCQ Q04759 5/20 0.33
TTR P02766 1/20 0.33
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ACACB O00763 1/20 0.31
RORC P51449 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGER1 P34995 1/20 0.30
PPARG P37231 1/20 0.30
PTGER3 P43115 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
SCHEMBL23770748 0.86 RORC (0.33) PRKCAPRKCQTTRRORC
SCHEMBL19925059 0.84 PRKCA (0.33) PRKCAPRKCQTTRGUCY1B2GUCY1A2
SCHEMBL23770795 0.82 ABL1 (0.34) RORC
SCHEMBL23770477 0.80 MAPK10 (0.36) HCRTR1HCRTR2RORC
SCHEMBL23770510 0.78 JAK2 (0.32) PRKCAPRKCQ
SCHEMBL19970145 0.77 BTK (0.33) PRKCAPRKCQTTRHCRTR1HCRTR2
SCHEMBL19970136 0.77 BTK (0.33) PRKCAPRKCQTTRHCRTR1HCRTR2
SCHEMBL23770638 0.76 EIF2AK4 (0.31)
SCHEMBL19925823 0.76 SCN1A (0.32) PRKCAPRKCQTTRHCRTR1HCRTR2
SCHEMBL19925824 0.76 SCN1A (0.32) PRKCAPRKCQTTRHCRTR1HCRTR2

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