SCHEMBL8401638

SCHEMBL8401638

Nc1nc(C(O)CO)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
NOS1 P29475 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BACE1 P56817 1/20 0.36
LTA4H P09960 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 7/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TYR P14679 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL27684641 0.79 HSD17B10 (0.43) HSD17B10GABRA5GABRB2NOS1SMN1; SMN2
SCHEMBL965758 0.79
SCHEMBL27383162 0.79
SCHEMBL9601297 0.78 SMN1; SMN2 (0.42) HSD17B10GABRA5GABRB2NOS1SMN1; SMN2
SCHEMBL423983 0.78 HDAC3 (0.30)
SCHEMBL2669133 0.76 RAB9A (0.33) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL27684667 0.76 HSD17B10 (0.43) HSD17B10GABRA5GABRB2NOS1SMN1; SMN2
SCHEMBL11084300 0.75 HSD17B10 (0.33) HSD17B10GABRA5GABRB2NOS1SMN1; SMN2
SCHEMBL20819378 0.71 ADRB3 (0.41) NOS1SMN1; SMN2BACE1ALDH1A1NPC1
SCHEMBL20819338 0.71 ADRB3 (0.41) NOS1SMN1; SMN2BACE1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008398-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-12-28 US disclosed
US-5919965-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-07-06 US disclosed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 EP disclosed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 EP disclosed
EP-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 EP disclosed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 EP disclosed
WO-1997028168-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-08-07 WO disclosed
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO disclosed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO disclosed