SCHEMBL11017752

SCHEMBL11017752

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.69
KMT2A Q03164 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
MAPK14 Q16539 3/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.51
EPHX2 P34913 2/20 0.51
RAF1 P04049 1/20 0.51
FLT3 P36888 4/20 0.50
GAA P10253 1/20 0.50
CSF1R P07333 1/20 0.49

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
SCHEMBL11035426 0.92 EGFR (0.66) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL11015930 0.84 EGFR (0.59) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL11646450 0.84 EGFR (0.59) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL13620456 0.84 EGFR (0.61) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL2951112 0.83 RAB9A (0.77) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL4451956 0.82 EGFR (1.00) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL11014875 0.81 RAB9A (0.62) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL13234463 0.80 RAB9A (0.64) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL11016786 0.80 EGFR (0.57) EGFRKMT2ARAB9AMEN1NPC1
SCHEMBL11119624 0.79 RAB9A (0.62) EGFRKMT2ARAB9AMEN1NPC1

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