SCHEMBL31773

SCHEMBL31773

COC(=O)c1cccc(CN2CC(=O)NC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
ABHD6 Q9BV23 1/20 0.50
MAPK10 P53779 1/20 0.48
IDO1 P14902 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
SLC7A5 Q01650 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CD74 P04233 1/20 0.46
MIF P14174 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31768 0.84 CYP2D6 (0.54) IDO1TAS2R8MAPTL3MBTL1HDAC6
SCHEMBL20189519 0.84 RAB9A (0.53) LOXL2CYP4A11HDAC6KDM4ERAB9A
SCHEMBL671067 0.78 CHRM3 (0.53) LOXL2CYP4F2CYP4A11ABHD6MAPK10
SCHEMBL13848767 0.78 LOXL2 (0.50) LOXL2CYP4F2CYP4A11ABHD6MAPK10
SCHEMBL31947 0.78 LMNA (0.44) MAPK10MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL22346843 0.77 LOXL2 (0.52) LOXL2CYP4F2CYP4A11ABHD6MAPK10
SCHEMBL30065107 0.76 EPHX2 (0.47) TAS2R8MAPTHDAC6CD74MIF
SCHEMBL671044 0.76 LOXL2 (0.48) LOXL2CYP4F2CYP4A11ABHD6MAPK10
SCHEMBL675320 0.75 LOXL2 (0.50) LOXL2CYP4F2CYP4A11ABHD6MAPK10
SCHEMBL1373046 0.74 CYP2D6 (0.67) LOXL2CYP4F2CYP4A11ABHD6SLC7A5

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed