SCHEMBL26048857

SCHEMBL26048857

C[C@]1(O)C[C@H](NC(=O)Cn2nc(OC3CC3)c3cc(Br)ccc3c2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.44
CHRNA7 P36544 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 2/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL26048379 1.00 NLRP3 (0.44) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL25434999 1.00 NLRP3 (0.44) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL26048853 1.00 NLRP3 (0.44) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL26048790 0.93 NLRP3 (0.42) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL26048788 0.93 NLRP3 (0.42) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL26048328 0.93 NLRP3 (0.42) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL25430440 0.90 NLRP3 (0.41) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL25434565 0.90 NLRP3 (0.46) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL31513515 0.90 NLRP3 (0.46) NLRP3CHRNA7NPSR1TP53ALDH1A1
SCHEMBL26048422 0.90 NLRP3 (0.46) NLRP3CHRNA7NPSR1TP53ALDH1A1

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-2023158708-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-08-24 WO disclosed