SCHEMBL8908336

SCHEMBL8908336

O=C(OCC1NCC(=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
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PPM1B O75688 1/20 0.39
FOLH1 Q04609 2/20 0.38
CES2 O00748 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 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
SCHEMBL8908130 0.76 CHRNB2 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4SMN1; SMN2
SCHEMBL13286850 0.67 PPM1B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8193371 0.67 CES2 (0.53) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8908293 0.67 CHRNB2 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
Bromide SCHEMBL28137170 0.66 TDP1 (0.68) SMN1; SMN2NPC1TDP1MAPK1HIF1A
SCHEMBL8885874 0.65 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4CARM1
SCHEMBL9310364 0.65 TDP1 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4SMN1; SMN2
SCHEMBL537205 0.65 TDP1 (0.65) SMN1; SMN2NPC1TDP1MAPK1HIF1A
SCHEMBL9310807 0.65 PPM1B (0.64) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8447322 0.64 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4CARM1

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