SCHEMBL28538564

SCHEMBL28538564

CC(C)c1ncc2c(c1OC(N)=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
ATM Q13315 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL30043363 0.74 NLRP3 (0.35) LNPEPALDH1A1HPGDATMKDM4E
SCHEMBL21625485 0.74 NLRP3 (0.35) LNPEPALDH1A1HPGDATMKDM4E
SCHEMBL21625481 0.72 GAA (0.36) LNPEPALDH1A1HPGDATMKDM4E
SCHEMBL28797271 0.72 NLRP3 (0.43) ALDH1A1ATMSMN1; SMN2
SCHEMBL28527506 0.71 GAA (0.33) ALDH1A1HPGDATMKDM4EGAA
SCHEMBL24975328 0.71 DRD4 (0.37) RXFP1ALDH1A1HPGDKDM4EGAA
SCHEMBL21127855 0.71 DRD4 (0.31) RXFP1ALDH1A1HPGDKDM4EGAA
SCHEMBL21625479 0.70 NLRP3 (0.39) NPSR1ATMSMN1; SMN2
SCHEMBL28636651 0.70 TLR9 (0.32)
SCHEMBL28641253 0.69 NPSR1 (0.38) NPSR1ALDH1A1HPGDATMKDM4E

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-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed