SCHEMBL22695168

SCHEMBL22695168

Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(N)nn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 20/20 0.47
▸ TNF P01375 4/20 0.44
▸ NLRP3 Q96P20 2/20 0.44

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
SCHEMBL22670556 0.89 IL1B (0.60) IL1BTNFNLRP3
SCHEMBL22695112 0.77 IL1B (0.55) IL1BTNFNLRP3
SCHEMBL25519417 0.75 NLRP3 (0.39) NLRP3
SCHEMBL22695361 0.74 IL1B (0.47) IL1BTNFNLRP3
SCHEMBL2131597 0.73 KIF11 (0.50) —
SCHEMBL10853666 0.71 CNR2 (0.53) —
SCHEMBL31404964 0.70 IL1B (0.60) IL1BTNFNLRP3
SCHEMBL28289145 0.70 IL1B (0.37) IL1BTNFNLRP3
SCHEMBL22654856 0.70 IL1B (0.58) IL1BTNFNLRP3
SCHEMBL16835766 0.70 CYP11B2 (0.41) TNF

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-2020234715-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
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