SCHEMBL5311528

SCHEMBL5311528

O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.74
LSS P48449 3/20 0.72
PKM P14618 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.67
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 1/20 0.65
F13A1 P00488 1/20 0.62
TGM2 P21980 1/20 0.62
TGM1 P22735 1/20 0.62
LMNA P02545 1/20 0.61

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
SCHEMBL6179932 0.91 LSS (0.65) CNR1LSSPKML3MBTL1NPSR1
SCHEMBL751854 0.85 ALDH1A1 (0.87) CNR1PKML3MBTL1NPSR1ALDH1A1
SCHEMBL6981358 0.85 LSS (0.61) CNR1LSSL3MBTL1ALDH1A1
SCHEMBL7401658 0.84 LSS (1.00) CNR1LSSL3MBTL1
SCHEMBL6980123 0.83 LSS (0.60) CNR1LSSPKMALDH1A1F13A1
SCHEMBL7660042 0.83 LSS (0.77) CNR1LSSL3MBTL1NPSR1ALDH1A1
SCHEMBL7086266 0.82 ALDH1A1 (0.59) LSSPKMALDH1A1F13A1TGM2
SCHEMBL751747 0.82 CNR1 (0.69) CNR1PKML3MBTL1NPSR1ALDH1A1
SCHEMBL1387276 0.82 LSS (0.94) CNR1LSSL3MBTL1ALDH1A1
SCHEMBL5443874 0.81 GPR183 (0.63) PKMALDH1A1LMNA

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-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed