SCHEMBL7610484

SCHEMBL7610484

COc1ccc(NC(=O)N(O)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 4/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 1/20 0.54
NPY5R Q15761 1/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 2/20 0.51
ESR2 Q92731 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
TGM2 P21980 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7618684 0.81 THRB (0.58) RAB9ASMN1; SMN2NPC1KMT2ATP53
SCHEMBL14557553 0.81 NPC1 (0.63) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL9067959 0.79 MEN1 (0.56) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7616604 0.79 MEN1 (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL7608931 0.79 MTOR (0.57) RAB9ASMN1; SMN2NPC1HPGDKMT2A
SCHEMBL7088596 0.79 NPC1 (0.66) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL8107929 0.78 SAE1 (0.46) SMN1; SMN2HPGDKMT2AMEN1HTT
SCHEMBL7620150 0.77 KMT2A (0.61) SMN1; SMN2CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL7613464 0.77 TGM2 (0.53) MAPTTGM2CA12CA1CA2
SCHEMBL7612631 0.77 NOX1 (0.51) RAB9ASMN1; SMN2NPC1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed