SCHEMBL8891903

SCHEMBL8891903

O=C1CSC(COC(=O)c2ccccc2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CES2 O00748 1/20 0.42
KMT2A Q03164 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FOLH1 Q04609 2/20 0.40
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL8890796 0.75 CHRNB2 (0.44) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL1021591 0.73 TDP1 (0.52) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8447322 0.73 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL532785 0.73 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL13286850 0.73 PPM1B (0.56) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL23629612 0.72 CHRNB2 (0.47) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL9067211 0.72 CHRNB2 (0.44) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL25694068 0.72 CHRNB2 (0.47) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8193371 0.72 CES2 (0.53) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8469278 0.72 TDP1 (0.50) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4

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-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