SCHEMBL4457075

SCHEMBL4457075

Cc1cccc2oc(N[C@@H](CSN=O)C(=O)O)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
ELANE P08246 11/20 0.39
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CEPT1 Q9Y6K0 1/20 0.35
CTRB1 P17538 3/20 0.34
AGPAT2 O15120 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL13408957 0.82 ELANE (0.42) FBP1ELANEALDH1A1MEN1KMT2A
SCHEMBL4452899 0.81 NPC1 (0.45) ELANEALDH1A1MEN1KMT2AMAPT
SCHEMBL4452895 0.81 NPC1 (0.45) ELANEALDH1A1MEN1KMT2AMAPT
SCHEMBL4470020 0.74 S1PR3 (0.51) FBP1MAPT
SCHEMBL13408965 0.70 NPC1 (0.48) ELANEALDH1A1MAPTPKM
SCHEMBL4455577 0.70 CTSS (0.43) ELANEALDH1A1MEN1KMT2AMAPT
SCHEMBL4455581 0.70 CTSS (0.43) ELANEALDH1A1MEN1KMT2AMAPT
SCHEMBL4468902 0.69 NPC1 (0.39) ELANEALDH1A1MEN1KMT2A
SCHEMBL8545872 0.68 ALDH1A1 (0.47) ELANEALDH1A1MEN1KMT2ACTRB1
SCHEMBL4456266 0.68 CTSS (0.45) ELANEALDH1A1MEN1KMT2AL3MBTL1

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