SCHEMBL4470020

SCHEMBL4470020

O=NSC[C@H](Nc1nc2ccc(Cl)cc2o1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 16/20 0.51
S1PR4 O95977 2/20 0.47
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
S1PR1 P21453 7/20 0.44
FBP1 P09467 1/20 0.42
KCNH2 Q12809 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
SCHEMBL4452895 0.85 NPC1 (0.45) MAPTRAB9ACTSS
SCHEMBL4452899 0.85 NPC1 (0.45) MAPTRAB9ACTSS
SCHEMBL13408924 0.83 S1PR3 (0.55) S1PR3S1PR4MAPTRAB9ACTSL
SCHEMBL2418767 0.82 S1PR3 (0.48) S1PR3S1PR4MAPTRAB9ACTSL
SCHEMBL2418764 0.82 S1PR3 (0.48) S1PR3S1PR4MAPTRAB9ACTSL
SCHEMBL4457075 0.74 FBP1 (0.40) MAPTFBP1
SCHEMBL4455577 0.73 CTSS (0.43) MAPTRAB9ACTSS
SCHEMBL4455581 0.73 CTSS (0.43) MAPTRAB9ACTSS
SCHEMBL13408965 0.71 NPC1 (0.48) MAPTRAB9ACTSS
SCHEMBL21583693 0.70 NPC1 (0.47) MAPTRAB9ACTSS

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