SCHEMBL26048751

SCHEMBL26048751

C[C@H]1C[C@H]1Oc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.43
CHRNA7 P36544 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KRAS P01116 1/20 0.33

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
SCHEMBL26048736 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048750 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048744 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048747 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048752 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL25433192 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048740 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048215 1.00 NLRP3 (0.43) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL25434999 0.89 NLRP3 (0.44) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53
SCHEMBL26048379 0.89 NLRP3 (0.44) NLRP3CHRNA7ALDH1A1SMN1; SMN2TP53

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