SCHEMBL4032913

SCHEMBL4032913

Cc1noc(-c2ccncc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPK3 P27361 1/20 0.35
CTSA P10619 2/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4034108 0.93 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4034159 0.90 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4032476 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL15437576 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4032395 0.88 LPAR1 (0.40) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4034499 0.87 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4033894 0.87 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTCTSA
SCHEMBL4036790 0.86 TRPA1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4031584 0.85 LPAR1 (0.43) LPAR1LPAR3MAPTKDM4EMAPK1
SCHEMBL4028781 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E

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