SCHEMBL23770489

SCHEMBL23770489

OC1CN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccc(F)cc4Cl)n3)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
CNR2 P34972 3/20 0.33
MPL P40238 1/20 0.33
CNR1 P21554 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
MAP4K1 Q92918 1/20 0.32
KRAS P01116 1/20 0.32
GRIN2B Q13224 1/20 0.32
CLK2 P49760 1/20 0.32
LRRK2 Q5S007 1/20 0.32
RORC P51449 1/20 0.31
CCNT1 O60563 1/20 0.31
WDR5 P61964 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
SCHEMBL23770724 0.90 MAP4K1 (0.34) MAP4K1CCNT1
SCHEMBL23770822 0.89 MPL (0.33) HSD11B1CNR2MPLKRASGRIN2B
SCHEMBL23770632 0.86 ADRB2 (0.42) HSD11B1CNR2CNR1KRASCCNT1
SCHEMBL23770574 0.84 CCNT1 (0.31) MAP4K1CCNT1
SCHEMBL23770836 0.82 MPL (0.33) MPLCLK2LRRK2
SCHEMBL23770651 0.82 RORC (0.38) HSD11B1CNR2CNR1KRASRORC
SCHEMBL23770753 0.82 GRIN2B (0.36) MPLGRIN2BCLK2LRRK2
SCHEMBL23770810 0.81 MPL (0.32) MPLGRIN2BCCNT1
SCHEMBL29464376 0.81 GHSR (0.36) HSD11B1MPLTRPV1MAP4K1KRAS
SCHEMBL19968851 0.81 GHSR (0.36) HSD11B1MPLTRPV1MAP4K1KRAS

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