SCHEMBL4028274

SCHEMBL4028274

Cc1noc(-c2ccccc2Br)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
GPBAR1 Q8TDU6 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 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
SCHEMBL4032080 0.88 MEN1 (0.40) LPAR1LPAR2LPAR3GPBAR1L3MBTL1
SCHEMBL4034108 0.86 LPAR1 (0.44) LPAR1LPAR2LPAR3LMNAMAPT
SCHEMBL4034159 0.83 LPAR1 (0.44) LPAR1LPAR2LPAR3GPBAR1LMNA
SCHEMBL4037529 0.83 CTSA (0.37) LPAR1LPAR2LPAR3GPBAR1MEN1
SCHEMBL4032913 0.82 LPAR1 (0.42) LPAR1LPAR2LPAR3LMNAMAPT
SCHEMBL4032476 0.81 LPAR1 (0.43) LPAR1LPAR2LPAR3GPBAR1L3MBTL1
SCHEMBL15437576 0.81 LPAR1 (0.43) LPAR1LPAR2LPAR3GPBAR1LMNA
SCHEMBL4028781 0.80 LPAR1 (0.42) LPAR1LPAR2LPAR3LMNAMAPT
SCHEMBL4035115 0.80 IP6K1 (0.40) LPAR1LPAR2LPAR3GPBAR1L3MBTL1
SCHEMBL4035057 0.80 TP53 (0.41) LPAR1LPAR2LPAR3GPBAR1L3MBTL1

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