SCHEMBL27289089

SCHEMBL27289089

CN1CCC[C@@H](Nc2nnc(-c3ccc(F)cc3)c3cc[nH]c23)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 8/20 0.49
▸ KAT2B Q92831 3/20 0.46
▸ IL1B P01584 7/20 0.44
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ NPR1 P16066 1/20 0.39
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL27289106 0.93 NLRP3 (0.48) NLRP3KAT2BIL1BMAPK11MAPK14
SCHEMBL27289122 0.90 KAT2B (0.46) NLRP3KAT2BIL1B
SCHEMBL27289128 0.89 KAT2B (0.51) NLRP3KAT2BIL1B
SCHEMBL27288788 0.89 IL1B (0.55) NLRP3KAT2BIL1B
SCHEMBL30718303 0.89 IL1B (0.55) NLRP3KAT2BIL1B
SCHEMBL27297288 0.85 NLRP3 (0.58) NLRP3KAT2BIL1B
SCHEMBL26112889 0.84 NLRP3 (0.60) NLRP3KAT2BIL1B
SCHEMBL26093572 0.84 KAT2B (0.50) NLRP3KAT2BIL1B
SCHEMBL26093567 0.84 KAT2B (0.50) NLRP3KAT2BIL1B
SCHEMBL27289110 0.82 KAT2B (0.45) NLRP3KAT2BIL1B

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-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 — — WO disclosed
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