SCHEMBL4451777

SCHEMBL4451777

O=NSCC[C@H](Nc1ncccn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
TEAD4 Q15561 1/20 0.30

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
SCHEMBL4457429 0.78 FDPS (0.41) ALDH1A1HPGDTSHRLMNANPC1
SCHEMBL4457430 0.78 FDPS (0.41) ALDH1A1HPGDTSHRLMNANPC1
SCHEMBL7575988 0.76 NAALAD2 (0.47) HPGDGAA
SCHEMBL4455175 0.76 PPARG (0.37) ALDH1A1PPARGPPARALMNAHTT
SCHEMBL7575979 0.76 NAALAD2 (0.47) HPGDGAA
SCHEMBL4456734 0.76 PPARG (0.37) ALDH1A1PPARGPPARALMNAHTT
SCHEMBL4460006 0.75 KIF11 (0.44)
SCHEMBL4460000 0.75 KIF11 (0.44)
SCHEMBL20533611 0.74 MMP2 (0.42) PPARGPPARA
SCHEMBL31052801 0.73 GRN (0.46) PPARGPPARALMNAHTTKMT2A

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