SCHEMBL4030964

SCHEMBL4030964

Cc1noc(-c2cccc(F)c2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HSP90AA1 P07900 1/20 0.39
LPAR1 Q92633 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
CTSA P10619 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SCD5 Q86SK9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4029114 0.91 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4035115 0.91 IP6K1 (0.40) LPAR1LPAR3LPAR2CTSAGPBAR1
SCHEMBL4035057 0.91 TP53 (0.41) LPAR1LPAR3LPAR2CTSAGPBAR1
SCHEMBL4034108 0.91 LPAR1 (0.44) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4032476 0.90 LPAR1 (0.43) LPAR1LPAR3LPAR2CTSAGPBAR1
SCHEMBL4030912 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4034077 0.88 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL4032925 0.87 LPAR1 (0.42) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034287 0.86 SLC16A3 (0.37) LPAR1LPAR3LPAR2CTSAGPBAR1
SCHEMBL4033684 0.86 NPC1 (0.39) LPAR1LPAR3LPAR2MEN1KMT2A

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