SCHEMBL4036454

SCHEMBL4036454

Cc1noc(-c2ccc(CNCCc3ccncc3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTR5A P47898 3/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CRHR1 P34998 1/20 0.36
NPC1 O15118 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL4031158 0.91 MEN1 (0.43) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4030241 0.89 LPAR1 (0.42) LPAR1LPAR2LPAR3LMNAALDH1A1
SCHEMBL4034939 0.88 LPAR1 (0.45) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4032394 0.87 LPAR1 (0.47) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4036696 0.87 LPAR1 (0.44) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4032913 0.85 LPAR1 (0.42) LPAR1LPAR2LPAR3MEN1LMNA
SCHEMBL4028841 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3MEN1LMNA
SCHEMBL4034918 0.83 LPAR1 (0.45) LPAR1LPAR2LPAR3
SCHEMBL4032920 0.83 ATM (0.44) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4034499 0.83 LPAR1 (0.48) LPAR1LPAR2LPAR3MEN1KMT2A

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