SCHEMBL4455180

SCHEMBL4455180

O=C(O)CCC(S)Nc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.38
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SHMT2 P34897 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CPA3 P15088 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL7575988 0.79 NAALAD2 (0.47) FOLH1GAAKDM4E
SCHEMBL7575979 0.79 NAALAD2 (0.47) FOLH1GAAKDM4E
SCHEMBL2360301 0.77 SHMT2 (0.37) LMNAHTTALDH1A1SHMT2GAA
SCHEMBL2234954 0.73 ENPEP (0.40) FOLH1LMNAHTTALDH1A1SHMT2
SCHEMBL5509356 0.70 CPA3 (0.46) FOLH1MEN1NPC1RAB9AKMT2A
SCHEMBL4455175 0.69 PPARG (0.37) FOLH1LMNAHTTALDH1A1GAA
SCHEMBL4456734 0.69 PPARG (0.37) FOLH1LMNAHTTALDH1A1GAA
SCHEMBL17234481 0.68 ALDH1A1 (0.60) LMNAHTTALDH1A1GAAMEN1
SCHEMBL6558177 0.68 PKLR (0.40) LMNAHTTGAAMEN1NPC1
SCHEMBL13760292 0.68 KDM4E (0.41) FOLH1LMNAHTTALDH1A1GAA

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 1 patent. 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 disclosed