SCHEMBL4032080

SCHEMBL4032080

Cc1noc(-c2ccccc2F)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPBAR1 Q8TDU6 5/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
CTSA P10619 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL4037529 0.91 CTSA (0.37) MEN1KMT2AGPBAR1LPAR1LPAR2
SCHEMBL4028274 0.88 LPAR1 (0.37) MEN1KMT2AGPBAR1LPAR1LPAR2
SCHEMBL4034108 0.86 LPAR1 (0.44) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4030969 0.86 LPAR1 (0.38) MEN1KMT2AGPBAR1LPAR1LPAR3
SCHEMBL4032476 0.85 LPAR1 (0.43) MEN1KMT2AGPBAR1LPAR1LPAR2
SCHEMBL15437656 0.84 SCN9A (0.37) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL15437515 0.84 SCN9A (0.37) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4030964 0.84 HDAC3 (0.39) MEN1KMT2AGPBAR1LPAR1LPAR2
SCHEMBL4032656 0.83 MEN1 (0.48) MEN1KMT2AGPBAR1ALDH1A1GAA
SCHEMBL4034159 0.83 LPAR1 (0.44) MEN1KMT2AGPBAR1LPAR1LPAR2

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