SCHEMBL12465722

SCHEMBL12465722

CC(=O)Nc1ccc(-c2onc(C)c2NC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
KDM4E B2RXH2 5/20 0.60
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LPAR1 Q92633 4/20 0.49
LPAR3 Q9UBY5 2/20 0.49
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
RXFP1 Q9HBX9 2/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA1 P00915 2/20 0.43

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
SCHEMBL25401241 0.87 MAPT (0.57) MAPTKDM4ESMN1; SMN2LPAR1LPAR3
SCHEMBL4037272 0.85 MAPT (0.54) MAPTKDM4ESMN1; SMN2L3MBTL1LPAR1
SCHEMBL12465621 0.85 MAPT (0.56) MAPTKDM4EHTTSMN1; SMN2LPAR1
SCHEMBL12465757 0.85 MAPT (0.56) MAPTKDM4ESMN1; SMN2LPAR1LPAR3
SCHEMBL12466067 0.84 MAPT (0.61) MAPTKDM4ESMN1; SMN2LPAR1LPAR3
SCHEMBL2761636 0.84 MAPT (0.53) MAPTKDM4ESMN1; SMN2LPAR1LPAR3
SCHEMBL4035675 0.83 MAPT (0.67) MAPTKDM4EHTTSMN1; SMN2LPAR1
SCHEMBL12465748 0.83 MAPT (0.54) MAPTKDM4ESMN1; SMN2LPAR1LPAR3
SCHEMBL4034870 0.82 MAPT (0.52) MAPTKDM4EHTTSMN1; SMN2LPAR1
SCHEMBL3710978 0.82 MAPT (0.52) MAPTKDM4ESMN1; SMN2LPAR1LPAR3

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