SCHEMBL4032295

SCHEMBL4032295

Cc1noc(-c2cccc(CSc3nc[nH]n3)c2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
DAO P14920 1/20 0.33
MAPT P10636 1/20 0.33
ACMSD Q8TDX5 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTSA P10619 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL4033738 0.92 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4031244 0.84 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4036926 0.83 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4032925 0.83 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4030608 0.82 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4033623 0.81 LPAR1 (0.41) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4030974 0.80 LPAR1 (0.59) LPAR1LPAR3LPAR2DAOMAPT
SCHEMBL4035057 0.79 TP53 (0.41) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4035115 0.79 IP6K1 (0.40) LPAR1LPAR3LPAR2MAPTTP53
SCHEMBL4034108 0.79 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1

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