SCHEMBL4451670

SCHEMBL4451670

O=C1SCCC1Nc1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 4/20 0.42
ELANE P08246 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL4451666 1.00 OPRK1 (0.44) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4455213 0.82 HCRTR1 (0.45) SMN1; SMN2HCRTR1HCRTR2
SCHEMBL4455211 0.82 HCRTR1 (0.45) SMN1; SMN2HCRTR1HCRTR2
SCHEMBL21047795 0.79 ELANE (0.53) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3952272 0.75 OPRK1 (0.59) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16666111 0.72 ELANE (0.62) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4454834 0.71 GAA (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL4454829 0.71 GAA (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5065261 0.71 ELANE (0.65) OPRK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1163272 0.70 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed