SCHEMBL13611403

SCHEMBL13611403

CCOC(=O)c1nn(C)c(=O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 8/20 0.49
RAB9A P51151 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 5/20 0.47
LMNA P02545 1/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
CA12 O43570 3/20 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
SCHEMBL7792914 0.82 ALDH1A1 (0.57) CYP1A2CYP2C19NPSR1NPC1RAB9A
SCHEMBL12683029 0.77 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL12021767 0.76 ALDH1A1 (0.55) RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL17556058 0.76 MEN1 (0.69) NPSR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13578883 0.75 KMT2A (0.55) RAB9AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL15568782 0.73 KDM4E (0.43) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL387677 0.73 SMN1; SMN2 (0.42) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL20503075 0.72 KDM4E (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL22900489 0.71 KMT2A (0.46) CYP1A2CYP2D6CYP2C19NPSR1NPC1
SCHEMBL4338135 0.70 NR1H2 (0.49) CYP1A2CYP2D6CYP2C19NPSR1NPC1

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
EP-1967516-B1 4-(phenylamino)-6-oxo-1,6-dihydropyridazine-3-carboxamide derivatives as MEK inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC (US) 2009-11-04 EP disclosed