SCHEMBL4036696

SCHEMBL4036696

CCCCCNCc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
LPAR2 Q9HBW0 3/20 0.44
LPAR3 Q9UBY5 3/20 0.44
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR2 O95136 2/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4032394 0.91 LPAR1 (0.47) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4034939 0.90 LPAR1 (0.45) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4034918 0.88 LPAR1 (0.45) LPAR1LPAR2LPAR3S1PR1S1PR3
SCHEMBL4036454 0.87 LPAR1 (0.43) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4034953 0.86 LPAR1 (0.52) LPAR1LPAR2LPAR3S1PR1S1PR3
SCHEMBL4030241 0.85 LPAR1 (0.42) LPAR1LPAR2LPAR3KDM4E
SCHEMBL4031158 0.85 MEN1 (0.43) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4032920 0.84 ATM (0.44) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4028841 0.84 LPAR1 (0.43) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4034499 0.84 LPAR1 (0.48) LPAR1LPAR2LPAR3S1PR1S1PR3

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