SCHEMBL4033798

SCHEMBL4033798

Cc1onc(-c2ccc(CO)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
LPAR1 Q92633 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
GPBAR1 Q8TDU6 4/20 0.38
PTGS2 P35354 1/20 0.37
SCN9A Q15858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL4028916 0.91 GAA (0.45) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4029082 0.91 GAA (0.45) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4029400 0.90 ALDH1A1 (0.43) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4034254 0.88 KMT2A (0.44) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4033782 0.84 MAPK1 (0.42) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4037102 0.83 GPBAR1 (0.49) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4032705 0.82 GPBAR1 (0.48) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4037046 0.81 KMT2A (0.43) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL4032656 0.80 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4037549 0.80 NPSR1 (0.47) MEN1KMT2ANPSR1ALDH1A1GAA

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