SCHEMBL7613993

SCHEMBL7613993

CC(C)CN(O)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL7614921 0.87 LMNA (0.56) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL29140939 0.84 HDAC1 (0.64) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL9340949 0.81 MTOR (0.51) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL2640925 0.80 MEN1 (0.64) MTORNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7613444 0.79 KMT2A (0.56) SMN1; SMN2KMT2AMEN1LMNATP53
SCHEMBL3483320 0.79 HDAC1 (0.59) MTORHDAC1HDAC6NPC1RAB9A
SCHEMBL7617091 0.77 ALDH1A1 (0.51) MTORHDAC1HDAC6SMN1; SMN2KMT2A
SCHEMBL7615716 0.77 MEN1 (0.56) MTORHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL7608931 0.77 MTOR (0.57) MTORNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7611785 0.75 NPY5R (0.57) MTORNPC1RAB9ASMN1; SMN2KMT2A

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