SCHEMBL8907876

SCHEMBL8907876

Nc1ccn(CCN2CCSC2COC(=O)c2ccccc2)c(=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNA5 P30532 2/20 0.38
CHRNA7 P36544 2/20 0.38
CACNA1F O60840 2/20 0.36
LMNA P02545 2/20 0.36
ALB P02768 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
PDE3A Q14432 2/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NPC1 O15118 1/20 0.34
EP300 Q09472 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
POLG P54098 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
SCHEMBL8891878 0.84 DCK (0.37) CHRNB2CHRNA4CHRNA5CHRNA7ALB
SCHEMBL8909572 0.83 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA5CHRNA7CACNA1F
SCHEMBL8909430 0.82 LMNA (0.43) CACNA1FLMNAALBMAPTCACNA1D
SCHEMBL8908293 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA5CHRNA7MAPT
SCHEMBL10569326 0.75 PPM1B (0.44) CHRNB2CHRNA4CHRNA5CHRNA7CACNA1F
SCHEMBL9396763 0.73 ALDH1A1 (0.36) CHRNB2CHRNA4CHRNA5CHRNA7CACNA1F
SCHEMBL6450341 0.70 ALB (0.67) CACNA1FLMNAALBMAPTCACNA1D
SCHEMBL7932120 0.70 ALB (0.67) CACNA1FLMNAALBMAPTCACNA1D
SCHEMBL9195454 0.70 ALB (0.67) CACNA1FLMNAALBMAPTCACNA1D
SCHEMBL6448105 0.70 ALB (0.67) CACNA1FLMNAALBMAPTCACNA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO claimed
WO-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO disclosed