SCHEMBL4031158

SCHEMBL4031158

Cc1noc(-c2ccc(CNCCc3cccnc3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR5A P47898 5/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
HDAC1 Q13547 1/20 0.41
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4036454 0.91 LPAR1 (0.43) MEN1KMT2AHTR5AHTR1ADRD2
SCHEMBL4030241 0.87 LPAR1 (0.42) HTR5ADRD2LPAR1LPAR2LPAR3
SCHEMBL4034939 0.86 LPAR1 (0.45) MEN1KMT2AHTR5ALPAR1LPAR2
SCHEMBL4032394 0.85 LPAR1 (0.47) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4036696 0.85 LPAR1 (0.44) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4028841 0.83 LPAR1 (0.43) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4032920 0.81 ATM (0.44) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4034499 0.81 LPAR1 (0.48) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4032913 0.80 LPAR1 (0.42) MEN1KMT2ALPAR1LPAR2LPAR3
SCHEMBL4034108 0.79 LPAR1 (0.44) MEN1KMT2ALPAR1LPAR2LPAR3

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