SCHEMBL23770599

SCHEMBL23770599

Cc1ccc(C(F)(F)F)c(-c2cccc(F)c2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
MPL P40238 4/20 0.40
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE6H Q13956 1/20 0.34
NOTUM Q6P988 1/20 0.34
KCNN4 O15554 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL29464862 0.85 HSD11B1 (0.39) HSD11B1MPLADORA2AADORA1PDE2A
SCHEMBL19968792 0.85 MPL (0.44) HSD11B1MPLADORA2AADORA1PDE2A
SCHEMBL19927801 0.85 HSD11B1 (0.39) HSD11B1MPLADORA2AADORA1PDE2A
SCHEMBL29464894 0.78 TRPV1 (0.44) HSD11B1MPLNOTUM
SCHEMBL19968793 0.78 TRPV1 (0.44) HSD11B1MPLNOTUM
SCHEMBL19925692 0.72 SCN1A (0.38) HSD11B1
SCHEMBL29464850 0.72 SCN1A (0.38) HSD11B1
SCHEMBL23770752 0.72 MPL (0.34) HSD11B1MPL
SCHEMBL173020 0.69 HSD11B1 (0.45) HSD11B1MPLNOTUMKCNN4TDP1
Ammonia Solution, Strong SCHEMBL28723095 0.68 HSD11B1 (0.44) HSD11B1MPLNOTUMKCNN4

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