SCHEMBL8908130

SCHEMBL8908130

O=C(OCC1SCC(=O)N1CCBr)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPM1B O75688 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL8901990 0.78 TK1 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL8909572 0.78 CHRNB2 (0.36) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL8908293 0.77 CHRNB2 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL8900287 0.76 EP300 (0.38) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL8908336 0.76 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL8907404 0.74 EGFR (0.49) SMN1; SMN2
SCHEMBL1021591 0.68 TDP1 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL532785 0.67 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL8447322 0.67 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL9067211 0.67 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4MEN1

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