SCHEMBL8908293

SCHEMBL8908293

O=C(OCC1SCCN1CCBr)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA5 P30532 2/20 0.47
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
NPC1 O15118 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
FOLH1 Q04609 1/20 0.39
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8907876 0.77 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL8908130 0.77 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL8469278 0.70 TDP1 (0.50) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL1021591 0.69 TDP1 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL28850685 0.68 TDP1 (0.55) NPC1TDP1KMT2AMAPK1HIF1A
SCHEMBL8908336 0.67 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL14397614 0.66 CARM1 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL1088261 0.66 TDP1 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL19841763 0.66 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL19841645 0.66 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNA5CARM1

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