SCHEMBL8773250

SCHEMBL8773250

COP(=O)(OC)Oc1ccc2nc(C(N)=O)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
MAPT P10636 4/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
SCD O00767 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
DYRK1A Q13627 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK1 Q15118 1/20 0.42

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
SCHEMBL8381667 0.85 MAOB (0.46) CA2MAPTMAOAMAOBHSD17B1
SCHEMBL3086399 0.84 MAPT (0.61) MAPTMAOAMAOBHSD17B1HSD17B2
SCHEMBL8773258 0.79 MAPT (0.43) CA2MAPTMAOAMAOBHSD17B1
SCHEMBL4638895 0.77 KMT2A (0.64) CA2MAPTNPC1RAB9ACYP3A4
SCHEMBL8773253 0.75 CA2 (0.46) CA2MAPTSCDNPC1RAB9A
SCHEMBL3086757 0.75 NPC1 (0.63) CA2MAPTHSD17B1HSD17B2NPC1
SCHEMBL3093869 0.73 RAB9A (0.57) MAPTMAOBNPC1RAB9AMEN1
SCHEMBL8031699 0.72 MAPT (0.49) CA2MAPTNPC1RAB9ACYP1A2
Phosphoric Acid SCHEMBL8381672 0.72 HSD17B1 (0.57) CA2MAPTMAOBHSD17B1HSD17B2
SCHEMBL2762136 0.72 MAPT (0.67) MAPTMAOAMAOBHSD17B1HSD17B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424465-B1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES JBL SCIENT INC (US) 1997-10-29 EP disclosed
US-5424440-A A non-fluorescent detector when hydrolyzing with selected enzyme become fluorescent; colorimetric analysis, spectrophotometry JBL SCIENTIFIC, INC. (US) 1995-06-13 US disclosed