SCHEMBL4037007

SCHEMBL4037007

Cc1onc(-c2ccccc2)c1N(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
HTT P42858 2/20 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
SCHEMBL4038201 1.00 NPSR1 (0.49) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4031104 1.00 NPSR1 (0.49) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4037549 0.86 NPSR1 (0.47) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4028127 0.84 NPSR1 (0.45) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4036403 0.84 NPSR1 (0.45) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4029082 0.84 GAA (0.45) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4028916 0.84 GAA (0.45) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4034797 0.84 NPSR1 (0.45) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4035140 0.83 KMT2A (0.44) NPSR1KMT2AMEN1GAAPOLB
SCHEMBL4029400 0.79 ALDH1A1 (0.43) NPSR1KMT2AMEN1GAAPTGS2

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-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed