SCHEMBL4028841

SCHEMBL4028841

Cc1noc(-c2ccc(CNCc3ccccn3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
TSHR P16473 3/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR3C1 P04150 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 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
SCHEMBL4030241 0.93 LPAR1 (0.42) LPAR1LPAR2LPAR3TSHRHTT
SCHEMBL4032394 0.88 LPAR1 (0.47) LPAR1LPAR2LPAR3KMT2AMEN1
SCHEMBL4034939 0.86 LPAR1 (0.45) LPAR1LPAR2LPAR3ALDH1A1KMT2A
SCHEMBL4032920 0.85 ATM (0.44) LPAR1LPAR2LPAR3TSHRL3MBTL1
SCHEMBL4036454 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3SMN1; SMN2LMNA
SCHEMBL4036696 0.84 LPAR1 (0.44) LPAR1LPAR2LPAR3SMN1; SMN2KMT2A
SCHEMBL4034499 0.83 LPAR1 (0.48) LPAR1LPAR2LPAR3ALDH1A1KMT2A
SCHEMBL4031158 0.83 MEN1 (0.43) LPAR1LPAR2LPAR3TSHRALDH1A1
SCHEMBL4034108 0.82 LPAR1 (0.44) LPAR1LPAR2LPAR3SMN1; SMN2LMNA
SCHEMBL4034159 0.81 LPAR1 (0.44) LPAR1LPAR2LPAR3HTTSMN1; SMN2

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