SCHEMBL30157080

SCHEMBL30157080

CS(=O)(=O)N1CCc2c(-c3ccc(C(F)(F)F)cc3O)nnc(N[C@@H]3CCCC[C@H]3O)c2C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ IL1B P01584 8/20 0.44
▸ TNF P01375 2/20 0.39
▸ F12 P00748 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ RBP4 P02753 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL27224459 1.00 NLRP3 (0.62) NLRP3KCNH2IL1BTNFF12
SCHEMBL27224407 0.87 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30156937 0.87 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30157058 0.86 NLRP3 (0.63) NLRP3KCNH2IL1BTNFRBP4
SCHEMBL27224451 0.86 NLRP3 (0.63) NLRP3KCNH2IL1BTNFRBP4
SCHEMBL30157075 0.83 NLRP3 (0.72) NLRP3KCNH2IL1BTNF
SCHEMBL27224458 0.83 NLRP3 (0.72) NLRP3KCNH2IL1BTNF
SCHEMBL30157063 0.83 NLRP3 (0.74) NLRP3KCNH2IL1BTNF
SCHEMBL26438471 0.83 NLRP3 (0.74) NLRP3KCNH2IL1BTNF
SCHEMBL27224408 0.83 NLRP3 (0.74) NLRP3KCNH2IL1BTNF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 — — CN disclosed
EP-4375274-A1 ANNULATED PYRIDAZINE COMPOUND Nico Therapeutics, Inc. (US) 2024-05-29 — — EP disclosed
WO-2023003002-A1 ANNULATED PYRIDAZINE COMPOUND アステラス製薬株式会社 2023-01-26 — — WO disclosed
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