SCHEMBL4455208

SCHEMBL4455208

Cc1nc(NC(CS)C(=O)O)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
NPC1 O15118 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 5/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
ACE P12821 1/20 0.40
FFAR2 O15552 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL4455204 1.00 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4459460 0.80 ALOX5 (0.56) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4459465 0.80 ALOX5 (0.56) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL13408956 0.79 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL4452867 0.79 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4452865 0.79 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4466264 0.73 KIF11 (0.45) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL4451653 0.71 TSHR (0.49) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL5827952 0.71 CSNK1D (0.56) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL13408929 0.71 CSNK1D (0.56) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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