SCHEMBL8181750

SCHEMBL8181750

O=C1NC(=S)OC1C(O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
UGT2B7 P16662 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
NQO1 P15559 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 2/20 0.34
AOC3 Q16853 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDE2A O00408 2/20 0.34

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
SCHEMBL11038271 0.70 CA2 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL28337645 0.65 UGT2B7 (0.52) MAPTUGT2B7MEN1KMT2AATM
SCHEMBL28337642 0.65 UGT2B7 (0.52) MAPTUGT2B7MEN1KMT2AATM
SCHEMBL434216 0.62 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL30033673 0.62 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL600527 0.62 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL28413868 0.62 MAPT (1.00) MAPTUGT2B7MEN1KMT2ASLC6A2
SCHEMBL11356021 0.62 SLC6A4 (0.58) MAPTUGT2B7GABRA1GABRG2GABRB3
SCHEMBL15631192 0.62 LMNA (0.41) MEN1KMT2A
SCHEMBL29498267 0.61 PGK1 (0.62) MAPTUGT2B7MEN1KMT2AATM

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-2000018745-A1 OXAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed