SCHEMBL4037529

SCHEMBL4037529

Cc1noc(-c2ccc(F)cc2F)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
MAPK14 Q16539 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
ACKR3 P25106 1/20 0.34
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33
BACE1 P56817 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 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 0.91 MEN1 (0.40) CTSAMEN1KMT2ALPAR1LPAR2
SCHEMBL4032476 0.87 LPAR1 (0.43) CTSAMEN1KMT2ALPAR1LPAR2
SCHEMBL15437515 0.87 SCN9A (0.37) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL15437656 0.87 SCN9A (0.37) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4030964 0.85 HDAC3 (0.39) CTSAMEN1KMT2ALPAR1LPAR2
SCHEMBL4034108 0.83 LPAR1 (0.44) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4028274 0.83 LPAR1 (0.37) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4034159 0.81 LPAR1 (0.44) CTSAMEN1KMT2ALPAR1LPAR2
SCHEMBL4035057 0.80 TP53 (0.41) CTSAMEN1KMT2ALPAR1LPAR2
SCHEMBL4035115 0.80 IP6K1 (0.40) CTSALPAR1LPAR2LPAR3GPBAR1

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