SCHEMBL23770822

SCHEMBL23770822

OC1CN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4Cl)n3)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.33
PTGES O14684 1/20 0.32
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CCNT1 O60563 1/20 0.31
TACR1 P25103 3/20 0.31
TACR3 P29371 3/20 0.31
GRIN2B Q13224 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCQ Q04759 1/20 0.30
TYK2 P29597 1/20 0.30
KRAS P01116 1/20 0.30
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR2 P34972 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
SCHEMBL23770489 0.89 HSD11B1 (0.33) MPLCLK2LRRK2CCNT1GRIN2B
SCHEMBL23770753 0.89 GRIN2B (0.36) MPLCLK2LRRK2PDE10AGRIN2B
SCHEMBL23770810 0.88 MPL (0.32) MPLPDE10ACCNT1GRIN2BPRKCA
SCHEMBL23770836 0.85 MPL (0.33) MPLCLK2LRRK2PRKCAPRKCQ
SCHEMBL23770759 0.84 MPL (0.43) MPL
SCHEMBL23770654 0.81 RORC (0.40) KRASALDH1A1
SCHEMBL23770806 0.81 RBP4 (0.36) MPLGRIN2B
SCHEMBL19968849 0.80 SCN9A (0.36) MPLPTGESCLK2LRRK2TACR1
SCHEMBL23770569 0.79 EPAS1 (0.34) MPLHSD11B1
SCHEMBL19970083 0.79 BTK (0.34) KRASCNR2

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