SCHEMBL8890796

SCHEMBL8890796

O=C(OCC1NCCS1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CES2 O00748 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PPM1B O75688 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9369305 0.77 KMT2A (0.52) TDP1KMT2ALMNAALDH1A1NPC1
SCHEMBL8469278 0.76 TDP1 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL8891903 0.75 PPM1B (0.46) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL9644840 0.75 KMT2A (0.49) TDP1KMT2AMAPK1LMNAALDH1A1
SCHEMBL1021591 0.74 TDP1 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL13286850 0.74 PPM1B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL2432546 0.73 MAPT (0.53) TDP1KMT2AMAPK1LMNANPC1
SCHEMBL1088261 0.72 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL1087816 0.72 TDP1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4TDP1
SCHEMBL19841645 0.72 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4TDP1

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