SCHEMBL11612950

SCHEMBL11612950

C/C=C/C(=O)CCSC(=S)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
MGLL Q99685 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
JAK2 O60674 1/20 0.32
BBOX1 O75936 1/20 0.32
TP53 P04637 1/20 0.32
ALDH2 P05091 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
FBP1 P09467 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
SCHEMBL11612952 1.00 LMNA (0.34) LMNAALDH1A1HTTMGLLSMN1; SMN2
SCHEMBL11607879 0.88 LMNA (0.32) LMNA
SCHEMBL11607874 0.88 LMNA (0.32) LMNA
SCHEMBL11610348 0.83 PHGDH (0.46) LMNAALDH1A1HTTMGLLSMN1; SMN2
SCHEMBL11610349 0.83 PHGDH (0.46) LMNAALDH1A1HTTMGLLSMN1; SMN2
SCHEMBL11606395 0.76 ALDH1A1 (0.53) LMNAALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL11606394 0.76 ALDH1A1 (0.53) LMNAALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL9422705 0.75 CYP1A2 (0.54) LMNAALDH1A1HTTMGLLSMN1; SMN2
SCHEMBL11605780 0.75 ALDH1A1 (0.39) LMNAALDH1A1HTTMGLLSMN1; SMN2
SCHEMBL11608609 0.72 LMNA (0.37) LMNAALDH1A1HTTMGLLSMN1; SMN2

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
US-4076814-A DITHIOCARBAMIC ACID DERIVATIVES SANKYO COMPANY LIMITED (JA) 1978-02-28 US disclosed