SCHEMBL23770665

SCHEMBL23770665

CC1CCCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SYK P43405 2/20 0.33
LRRK2 Q5S007 3/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAP4K4 O95819 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL23770635 0.87 IDH2 (0.39) SYK
SCHEMBL23770686 0.87 RBP4 (0.35) ALDH1A1KDM4EHSD17B10SYK
SCHEMBL23770810 0.85 MPL (0.32)
SCHEMBL23770597 0.85 RBP4 (0.33) SYKADORA2AADORA1
SCHEMBL19970126 0.85 IDH2 (0.39) SYKPROKR1
SCHEMBL19970141 0.85 IDH2 (0.39) SYKPROKR1
SCHEMBL23770456 0.85 IDH2 (0.39) SYKPROKR1
SCHEMBL23770628 0.84 CYP1A2 (0.42) ALDH1A1KDM4EUSP2HSD17B10MAPK1
SCHEMBL23770711 0.83 TRPA1 (0.30)
SCHEMBL23770436 0.82 DPP4 (0.39) SYKPIM1PIM3PIM2

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