SCHEMBL23950546

SCHEMBL23950546

O=C(Cn1nc(CCCC(F)(F)F)n2nc(C3CC3)cc2c1=O)NC1CC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.43
THRB P10828 2/20 0.36
TP53 P04637 2/20 0.35
CHRNA7 P36544 4/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3A P46098 1/20 0.35
KMT2A Q03164 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32
GRIN2B Q13224 1/20 0.31

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
SCHEMBL23950545 0.87 NLRP3 (0.44) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL25290583 0.87 NLRP3 (0.44) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950649 0.76 NLRP3 (0.46) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950530 0.74 NLRP3 (0.44) NLRP3THRBTP53CHRNA7
SCHEMBL23950527 0.74 NLRP3 (0.44) NLRP3THRBTP53CHRNA7
SCHEMBL23950795 0.72 NLRP3 (0.41) NLRP3THRBTP53KMT2A
SCHEMBL23950819 0.71 THRB (0.48) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950360 0.70 NLRP3 (0.58) NLRP3THRBTP53
SCHEMBL25754562 0.69 NLRP3 (0.47) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950798 0.68 NLRP3 (0.38) NLRP3TP53KMT2A

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-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed