SCHEMBL27224458

SCHEMBL27224458

CN1Cc2c(N[C@@H]3CCCC[C@H]3O)nnc(-c3ccc(C(F)(F)F)cc3O)c2C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ IL1B P01584 13/20 0.52
▸ TNF P01375 2/20 0.43
▸ TRPV3 Q8NET8 3/20 0.34

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
SCHEMBL30157075 1.00 NLRP3 (0.72) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL27224407 0.93 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30156937 0.93 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30157129 0.89 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL27224429 0.89 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30157063 0.86 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26436802 0.86 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL27224408 0.86 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26438471 0.86 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL30932818 0.85 NLRP3 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4375274-A1 ANNULATED PYRIDAZINE COMPOUND Nico Therapeutics, Inc. (US) 2024-05-29 — — EP disclosed
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