SCHEMBL23770810

SCHEMBL23770810

OC1CN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.32
RBP4 P02753 5/20 0.32
PDE10A Q9Y233 1/20 0.32
TRPA1 O75762 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
PRKCA P17252 1/20 0.30
PRKCQ Q04759 1/20 0.30
GRIN2B Q13224 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
SCHEMBL23770822 0.88 MPL (0.33) MPLPDE10ACCNT1PRKCAPRKCQ
SCHEMBL23770753 0.88 GRIN2B (0.36) MPLRBP4PDE10APRKCAPRKCQ
SCHEMBL23770628 0.86 CYP1A2 (0.42) RBP4TRPA1CCNT1CCNKCCNE1
SCHEMBL23770686 0.85 RBP4 (0.35) RBP4PDE10ATRPA1
SCHEMBL23770665 0.85 TLR7 (0.36)
SCHEMBL23770836 0.85 MPL (0.33) MPLPRKCAPRKCQ
SCHEMBL23770635 0.84 IDH2 (0.39) MPLRBP4
SCHEMBL23770597 0.84 RBP4 (0.33) RBP4TRPA1PRKCAPRKCQ
SCHEMBL22338280 0.83 TRPA1 (0.36) TRPA1
SCHEMBL19970126 0.82 IDH2 (0.39) MPLRBP4

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