SCHEMBL11014875

SCHEMBL11014875

CC(C)(C)c1cc(NC(=O)NCC(=O)O)no1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
EGFR P00533 1/20 0.58
MAPK14 Q16539 4/20 0.57
FLT3 P36888 3/20 0.54
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAF1 P04049 3/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
HPGD P15428 1/20 0.52
EPHX2 P34913 2/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL11016786 0.87 EGFR (0.57) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL13620456 0.85 EGFR (0.61) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL2951112 0.84 RAB9A (0.77) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL11017752 0.81 EGFR (0.69) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL14422913 0.80 EGFR (0.72) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL11646450 0.80 EGFR (0.59) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL11015930 0.80 EGFR (0.59) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL4899524 0.80 RAB9A (0.66) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL134635 0.80 RAB9A (0.66) RAB9AKMT2AMEN1NPC1EGFR
SCHEMBL1758718 0.79 EGFR (0.66) RAB9AKMT2AMEN1NPC1EGFR

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-0144098-A1 Cyclic ureas of isoxazole SHIONOGI & CO., LTD. (JP) 1985-06-12 EP disclosed