SCHEMBL6965063

SCHEMBL6965063

CCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
ALOX15 P16050 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 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
SCHEMBL6954047 0.88 ALDH1A1 (0.54) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL6960165 0.86 ALDH1A1 (0.52) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL6963632 0.84 NPSR1 (0.47) KMT2AMEN1NPSR1ALDH1A1ALOX15
SCHEMBL6963809 0.84 CNR1 (0.53) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL6965348 0.80 SLC6A2 (0.52) NPSR1ALDH1A1GAAHTT
SCHEMBL13911271 0.75 NPSR1 (0.54) NPSR1LMNAALDH1A1GAAALOX15
SCHEMBL11436717 0.73 MEN1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13900679 0.71 LMNA (0.50) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL28477897 0.70 KMT2A (0.62) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL17479111 0.68 LMNA (0.49) KMT2AMEN1NPSR1LMNAALDH1A1

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
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed