SCHEMBL4462138

SCHEMBL4462138

COc1ccc(CSCC(I)(C#N)NC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
ACACB O00763 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ACE P12821 2/20 0.38
HTT P42858 1/20 0.38
F2RL1 P55085 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL7352199 0.72 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL7220797 0.69 ACACB (0.46) SMN1; SMN2ACACBMAPTHTTF2RL1
SCHEMBL9166221 0.69 PPARA (0.50) GAASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL7334996 0.68 GAA (0.57) GAASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL5410393 0.68 GAA (0.61) GAASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL62037 0.66 IDO1 (0.59) GAASMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL7216025 0.66 ALDH1A1 (0.42) GAASMN1; SMN2ALDH1A1PKMACACB
SCHEMBL13953042 0.66 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ACACBMAPTF2RL1
SCHEMBL11490960 0.66 IDO1 (0.47) GAASMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL16341200 0.66 ACACB (0.60) SMN1; SMN2ACACBHTTF2RL1

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