SCHEMBL30157241

SCHEMBL30157241

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccc(C(F)(F)F)cc2O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ IL1B P01584 6/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CCR2 P41597 2/20 0.38
▸ TNF P01375 1/20 0.37
▸ SYK P43405 3/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CCRL2 O00421 1/20 0.36
▸ HCRTR1 O43613 2/20 0.36

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
SCHEMBL30987279 0.87 NLRP3 (0.59) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30356551 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30624986 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30181078 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855752 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855439 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855753 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855438 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30181196 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30180967 0.82 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1

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-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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