SCHEMBL4456734

SCHEMBL4456734

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPR3 P17342 1/20 0.34
PTPRA P18433 1/20 0.33
FOLH1 Q04609 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 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
SCHEMBL4455175 1.00 PPARG (0.37) PPARGPPARALMNAHTTGAA
SCHEMBL5828020 0.86 KDM4E (0.41) PPARGPPARALMNAHTTGAA
SCHEMBL13760292 0.86 KDM4E (0.41) PPARGPPARALMNAHTTGAA
SCHEMBL7575979 0.83 NAALAD2 (0.47) GAAFOLH1
SCHEMBL7575988 0.83 NAALAD2 (0.47) GAAFOLH1
SCHEMBL13606447 0.82 ALDH1A1 (0.40) PPARGPPARALMNAHTTKMT2A
SCHEMBL20533611 0.80 MMP2 (0.42) PPARGPPARAFOLH1
SCHEMBL31052801 0.79 GRN (0.46) PPARGPPARALMNAHTTKMT2A
SCHEMBL6558177 0.79 PKLR (0.40) PPARGPPARALMNAHTTGAA
SCHEMBL6558181 0.79 PKLR (0.40) PPARGPPARALMNAHTTGAA

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