SCHEMBL31055691

SCHEMBL31055691

CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.48
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL26975356 0.92 MEN1 (0.43) NLRP3MAPTKDM4EALDH1A1PKM
SCHEMBL22460318 0.91 MEN1 (0.46) KDM4EALDH1A1
SCHEMBL26975357 0.91 — —
SCHEMBL31055698 0.82 NLRP3 (0.45) NLRP3
SCHEMBL22460320 0.81 GAA (0.52) NLRP3
SCHEMBL31055701 0.81 NLRP3 (0.47) NLRP3ALDH1A1
SCHEMBL31055693 0.79 NLRP3 (0.48) NLRP3
SCHEMBL31055695 0.79 NLRP3 (0.48) NLRP3
SCHEMBL31055707 0.78 NLRP3 (0.47) NLRP3
SCHEMBL31055732 0.78 NLRP3 (0.47) NLRP3

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-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 — — EP claimed
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