SCHEMBL7437779

SCHEMBL7437779

C[C](C)SCCNC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 1/20 0.56
TGM2 P21980 1/20 0.52
ALDH1A1 P00352 1/20 0.51
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KAT2B Q92831 1/20 0.46

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
SCHEMBL10947622 0.84 LMNA (0.57) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL19145580 0.84 SMN1; SMN2 (0.68) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10186734 0.83 HTT (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10490878 0.82 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.82 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL18732911 0.82 LMNA (0.65) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL16404734 0.82 LMNA (0.65) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL11085496 0.82 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8428000 0.81 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7363823 0.81 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP claimed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP claimed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed