SCHEMBL12465702

SCHEMBL12465702

Cc1cc(-c2onc(C)c2NC(=O)O)ccc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KDM4E B2RXH2 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41
BRD4 O60885 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.40
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 1/20 0.38
ACLY P53396 1/20 0.36
CTPS1 P17812 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
TNIK Q9UKE5 1/20 0.36

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
SCHEMBL12465973 0.88 MAPT (0.40) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL12465743 0.88 MAPT (0.47) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL12465889 0.83 MAPT (0.53) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL15451661 0.78 LPAR1 (0.63) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL27931670 0.78 MAPT (0.39) MAPTBRD4POLBTP53CA2
SCHEMBL12467498 0.75 MAPT (0.52) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL4037272 0.75 MAPT (0.54) MAPTKDM4ELPAR1LPAR3POLB
SCHEMBL2761636 0.74 MAPT (0.53) MAPTKDM4ELPAR1LPAR3POLB
SCHEMBL4035675 0.73 MAPT (0.67) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL12465689 0.73 MAPT (0.51) MAPTKDM4ELPAR1LPAR3TP53

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