SCHEMBL24738162

SCHEMBL24738162

CC(C)c1cn2cc(C3CC3)cc(S(C)(=O)=O)c2n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.31
▸ PTGER1 P34995 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
SCHEMBL24738163 0.90 — —
SCHEMBL29302621 0.81 — —
SCHEMBL24738969 0.78 PTGS2 (0.31) —
SCHEMBL21355687 0.78 TYK2 (0.31) —
SCHEMBL24737512 0.78 — —
SCHEMBL24738161 0.78 PPARA (0.32) HTR4PTGER1
SCHEMBL29302622 0.77 CTSS (0.33) —
SCHEMBL24738088 0.76 KDM4E (0.34) —
SCHEMBL23571403 0.74 HTR4 (0.32) HTR4
SCHEMBL24738964 0.72 — —

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-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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