SCHEMBL9530006

SCHEMBL9530006

CCCCCCCCC(=O)CNC(=S)Nc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
IDO1 P14902 1/20 0.46
MGLL Q99685 2/20 0.45
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41

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
SCHEMBL9533117 0.82 LMNA (0.58) IDO1MGLLPKMLMNASMN1; SMN2
SCHEMBL9528281 0.82 LMNA (0.58) IDO1MGLLPKMLMNASMN1; SMN2
SCHEMBL10513899 0.82 LMNA (0.58) IDO1MGLLPKMLMNASMN1; SMN2
SCHEMBL17956746 0.82 LMNA (0.58) IDO1MGLLPKMLMNASMN1; SMN2
SCHEMBL18695165 0.79 LMNA (0.66) IDO1MGLLPKMLMNASMN1; SMN2
SCHEMBL15480393 0.79 PGR (0.65) PGRLMNASMN1; SMN2HTTPSMB11
SCHEMBL20777973 0.79 PGR (0.65) PGRLMNASMN1; SMN2HTTPSMB11
SCHEMBL17956781 0.76 TSHR (0.64) IDO1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL11072625 0.75 IDO1 (0.62) IDO1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL20777912 0.75 PSMB11 (0.72) PGRALDH1A1MAPTPSMB11PSMA7

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed