SCHEMBL4031244

SCHEMBL4031244

CCSCc1cccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PTGES O14684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4036926 0.92 LPAR1 (0.46) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4031859 0.90 LPAR1 (0.51) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032925 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4035057 0.86 TP53 (0.41) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4033623 0.86 LPAR1 (0.41) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4030608 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4035115 0.84 IP6K1 (0.40) LPAR1LPAR3LPAR2TP53MAPT
SCHEMBL4034108 0.84 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032295 0.84 LPAR1 (0.38) LPAR1LPAR3LPAR2TP53MEN1
SCHEMBL4030964 0.84 HDAC3 (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