SCHEMBL25289702

SCHEMBL25289702

CN=S(C)(=O)c1cc(C2CC2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
TYK2 P29597 13/20 0.36
QDPR P09417 3/20 0.33
WDR5 P61964 1/20 0.32
HSD11B1 P28845 1/20 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
SCHEMBL20092262 0.83 HDAC1 (0.39) HDAC1HDAC2HDAC3TYK2QDPR
SCHEMBL20093001 0.78 TYK2 (0.38) HDAC1HDAC2HDAC3TYK2
SCHEMBL2112353 0.77 QDPR (0.49) QDPR
SCHEMBL14454641 0.77 HDAC1 (0.42) HDAC1HDAC2HDAC3QDPRWDR5
SCHEMBL30490281 0.76 HDAC1 (0.40) HDAC1HDAC2HDAC3TYK2WDR5
Hydrochloric Acid SCHEMBL4435866 0.76 QDPR (0.47) QDPR
SCHEMBL20092137 0.74 TYK2 (0.41) TYK2
SCHEMBL20092749 0.73 GLA (0.38)
SCHEMBL1522466 0.71 PTGES2 (0.48) HDAC1HDAC2HDAC3
SCHEMBL5625544 0.70 ACMSD (0.41) HDAC1HDAC2HDAC3

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-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 EP disclosed