SCHEMBL31016286

SCHEMBL31016286

CS(=O)(=O)c1ccc2nn(CC=O)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
SCD O00767 3/20 0.36
PTGS2 P35354 3/20 0.36
LMNA P02545 2/20 0.34
ALOX5 P09917 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
ACP1 P24666 1/20 0.33
BRD4 O60885 1/20 0.33
ERN1 O75460 1/20 0.33
PDE5A O76074 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
SCHEMBL3223168 0.68 MAPT (0.56) PTGS2
SCHEMBL31733573 0.66 PRKDC (0.44) NPBWR1SCDPTGS2LMNAERN1
SCHEMBL3230905 0.66 MEN1 (0.50) PTGS2LMNA
SCHEMBL23903922 0.65 OGA (0.46) NPBWR1SCD
SCHEMBL3220143 0.65 ATM (0.43) NPBWR1SCDPTGS2ALOX5ACSS2
SCHEMBL11377378 0.65 SCD (0.43) NPBWR1SCDLMNAACSS2
SCHEMBL14089193 0.64 MEN1 (0.51) NPBWR1LMNA
SCHEMBL15814013 0.64 ALDH1A1 (0.43) PTGS2LMNAERN1
SCHEMBL12593470 0.64 SMN1; SMN2 (0.52) NPBWR1PTGS2LMNAERN1
SCHEMBL17442805 0.62 NPBWR1 (0.38) NPBWR1SCDACP1

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
CN-118344423-A Compositions and methods for targeting CNS disorders 萨奇治疗股份有限公司 2024-07-16 CN disclosed