SCHEMBL12466209

SCHEMBL12466209

Cc1noc(-c2ccc(NS(C)(=O)=O)cc2Cl)c1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP17A1 P05093 1/20 0.42
P2RY1 P47900 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 5/20 0.40
DPP7 Q9UHL4 5/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMURF2 Q9HAU4 1/20 0.37
SMURF1 Q9HCE7 1/20 0.37
LPAR1 Q92633 1/20 0.37

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
SCHEMBL12466023 0.86 KIT (0.41) MAPTKDM4ECYP17A1P2RY1HAVCR2
SCHEMBL15451595 0.81 LPAR1 (0.57) MAPTKDM4EDPP4DPP7LPAR1
SCHEMBL12465889 0.81 MAPT (0.53) MAPTKDM4EHPGDLPAR1LPAR3
SCHEMBL27931724 0.79 CYP17A1 (0.42) MAPTCYP17A1P2RY1MEN1POLB
SCHEMBL12465743 0.77 MAPT (0.47) MAPTKDM4EPOLBLPAR1LPAR3
SCHEMBL15437811 0.74 DPP4 (0.38) CYP17A1DPP4DPP7GAAHPGD
SCHEMBL15451652 0.73 LPAR1 (0.55) MAPTKDM4EP2RY1LPAR1LPAR3
SCHEMBL15451649 0.73 LPAR1 (0.55) MAPTKDM4EP2RY1LPAR1LPAR3
SCHEMBL12465702 0.72 MAPT (0.44) MAPTKDM4EPOLBLPAR1LPAR3
SCHEMBL12465973 0.70 MAPT (0.40) MAPTKDM4ELPAR1LPAR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO disclosed