SCHEMBL4452867

SCHEMBL4452867

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.39
NPC1 O15118 9/20 0.39
PKM P14618 2/20 0.39
FFAR2 O15552 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RCE1 Q9Y256 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4452865 1.00 RAB9A (0.39) RAB9ANPC1PKMFFAR2SMN1; SMN2
SCHEMBL4462546 0.83 ALOX5 (0.51) RAB9ANPC1PKMSMN1; SMN2POLB
SCHEMBL4451612 0.82 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL4451603 0.82 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL4455208 0.79 RAB9A (0.43) RAB9ANPC1PKMFFAR2SMN1; SMN2
SCHEMBL4455204 0.79 RAB9A (0.43) RAB9ANPC1PKMFFAR2SMN1; SMN2
SCHEMBL4466274 0.75 KIF11 (0.45) RAB9ANPC1PKMALDH1A1MAPK1
SCHEMBL4466264 0.75 KIF11 (0.45) RAB9ANPC1PKMALDH1A1MAPK1
SCHEMBL4469973 0.74 TSHR (0.44) RAB9ANPC1PKMSMN1; SMN2POLB
SCHEMBL4453343 0.74 CSNK1D (0.50) RAB9ANPC1SMN1; SMN2POLBMAPT

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