SCHEMBL30951360

SCHEMBL30951360

Cc1cc(C(F)(F)F)cc(O)c1-c1cc2ccc(CN(C)C)cc2nn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 20/20 0.48
▸ TNF P01375 3/20 0.43
▸ NLRP3 Q96P20 2/20 0.42

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
SCHEMBL30951380 0.85 HTR7 (0.40) IL1B
SCHEMBL30951394 0.85 HTR7 (0.40) IL1B
SCHEMBL22695045 0.71 IL1B (0.61) IL1BTNFNLRP3
SCHEMBL31637414 0.69 IL1B (0.51) IL1BTNFNLRP3
SCHEMBL30951378 0.69 NLRP3 (0.43) IL1BTNFNLRP3
SCHEMBL31637350 0.68 IL1B (0.47) IL1BTNFNLRP3
SCHEMBL22695042 0.68 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL22655138 0.68 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL22654856 0.67 IL1B (0.58) IL1BTNFNLRP3
SCHEMBL22670556 0.67 IL1B (0.60) IL1BTNFNLRP3

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-2024094150-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-05-10 — — WO disclosed
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