SCHEMBL8773258

SCHEMBL8773258

CC(N)(CO)CO.CC(N)(CO)CO.NC(=O)c1nc2ccc(OP(=O)(O)O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
CA2 P00918 12/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PPARA Q07869 1/20 0.40
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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 0.89 MAOB (0.46) MAPTCA2MAOAMAOBCA1
Phosphoric Acid SCHEMBL8773256 0.83 MAOB (0.48) MAPTMAOBHSD17B1HSD17B2
SCHEMBL8773248 0.81 MAPT (0.41) MAPTCA2
SCHEMBL8031606 0.79 MAPT (0.43) MAPTCA2
SCHEMBL8773250 0.79 CA2 (0.50) MAPTCA2MAOAMAOBHSD17B1
SCHEMBL3086399 0.75 MAPT (0.61) MAPTMAOAMAOBHSD17B1HSD17B2
SCHEMBL4638895 0.74 KMT2A (0.64) MAPTCA2PPARACA1CA4
SCHEMBL3086757 0.72 NPC1 (0.63) MAPTCA2CA1HSD17B1HSD17B2
SCHEMBL11058650 0.71 CA2 (0.68) CA2CA1CA4
Phosphoric Acid SCHEMBL8381672 0.70 HSD17B1 (0.57) MAPTCA2MAOBCA1CA4

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