SCHEMBL26049150

SCHEMBL26049150

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.49
CHRNA7 P36544 3/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 2/20 0.38
KRAS P01116 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 2/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL26049497 1.00 NLRP3 (0.49) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL31513493 1.00 NLRP3 (0.49) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL24077155 0.89 NLRP3 (0.47) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL24077004 0.89 NLRP3 (0.47) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL29348114 0.88 NLRP3 (0.52) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL25434565 0.88 NLRP3 (0.46) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL24076326 0.88 NLRP3 (0.58) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL31513515 0.88 NLRP3 (0.46) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL24077340 0.88 CHRNA7 (0.50) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB
SCHEMBL26048422 0.88 NLRP3 (0.46) NLRP3CHRNA7ALDH1A1SMN1; SMN2THRB

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