SCHEMBL23770445

SCHEMBL23770445

CCOC(=O)C1(N2CCN(c3cccc(SNc4ccc(C(F)(F)F)c(-c5cc(F)ccc5C)n4)n3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.31
ABL1 P00519 1/20 0.31
RET P07949 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30
FAAH O00519 1/20 0.30
MAPT P10636 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
SCHEMBL23770853 0.90 ABL1 (0.34) WDR5ABL1RETLMNARAB9A
SCHEMBL29464526 0.85 WDR5 (0.33) WDR5ABL1HTR1AGUCY1A1GUCY1B1
SCHEMBL19925762 0.85 WDR5 (0.33) WDR5ABL1HTR1AGUCY1A1GUCY1B1
SCHEMBL23770466 0.83 CYP1A2 (0.37) WDR5ABL1HTR1A
SCHEMBL23770452 0.82 PDE10A (0.34) ABL1FAAHMAPT
SCHEMBL23770757 0.81 MEN1 (0.33) LMNARAB9AGUCY1A1GUCY1B1MAPT
SCHEMBL23770770 0.81 ADRB2 (0.38) WDR5ABL1
SCHEMBL23770508 0.80 ABL1 (0.35) ABL1RET
SCHEMBL23770463 0.80 BTK (0.34) ABL1MAPT
SCHEMBL23770841 0.78 MEN1 (0.34) LMNARAB9AMAPT

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