SCHEMBL25211155

SCHEMBL25211155

NNc1cc(S(=O)(=O)C2CC2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
CCR6 P51684 8/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
CCR7 P32248 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GCK P35557 3/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KIF18A Q8NI77 1/20 0.32

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
SCHEMBL25209541 0.75 LRRK2 (0.40) HRH4CCR6PIK3C3CCR7LRRK2
Hydrochloric Acid SCHEMBL4676438 0.75 ROCK1 (0.44) HRH4PIK3C3KDM4EGAA
SCHEMBL19413524 0.75 COMT (0.39) HRH4PIK3C3LRRK2
SCHEMBL23497385 0.71 KDM4E (0.47) HRH4CCR6CCR7LRRK2GCK
SCHEMBL29971106 0.71 KDM4E (0.47) HRH4CCR6CCR7LRRK2GCK
SCHEMBL17645852 0.69 LMNA (0.62) PIK3C3KDM4EGAA
SCHEMBL29086274 0.68 LNPEP (0.40) HRH4CCR6CCR7LRRK2GCK
SCHEMBL29086273 0.67 KCNH2 (0.35) HRH4CCR6CCR7LRRK2GCK
SCHEMBL23845592 0.64 KDM4E (0.51) CCR6KDM4EGAA
SCHEMBL13874660 0.63 LMNA (0.59)

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed