SCHEMBL25325512

SCHEMBL25325512

CS(=O)(=O)c1cc(C2CN(C(=O)O)C2)ccc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
FASN P49327 3/20 0.38
KMO O15229 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TYK2 P29597 3/20 0.37
QDPR P09417 1/20 0.35
JAK1 P23458 1/20 0.35
ACMSD Q8TDX5 2/20 0.35
SLC6A9 P48067 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25324931 0.84 PDE4B (0.45)
SCHEMBL25255668 0.81 SLC6A9 (0.36) SLC9A1TYK2QDPRSLC6A9POLB
SCHEMBL30553403 0.78 TYK2 (0.38) SLC9A1DRD2DRD3TYK2
SCHEMBL25326686 0.78 USP30 (0.41) FASNKMOACMSD
SCHEMBL25943823 0.75 CYP2D6 (0.40) SLC9A1KMODRD2DRD3TYK2
SCHEMBL23091827 0.75 HDAC1 (0.46) ACMSDALDH1A1POLBKMT2A
SCHEMBL25260686 0.72 FPR1 (0.39) FASNKMOALDH1A1POLB
SCHEMBL31401408 0.71 SLC9A1 (0.53) SLC9A1KMOKMT2A
SCHEMBL13544340 0.71 ACMSD (0.56) KMOTYK2ACMSDMEN1ALDH1A1
SCHEMBL25325726 0.70 LMNA (0.36) SLC9A1DRD2DRD3TYK2ALDH1A1

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
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed