SCHEMBL12465748

SCHEMBL12465748

Cc1noc(-c2ccc(NC(=O)C3CC3)cc2)c1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
IP6K1 Q92551 2/20 0.51
IP6K3 Q96PC2 2/20 0.51
IP6K2 Q9UHH9 2/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
NAMPT P43490 1/20 0.48
PTPN1 P18031 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MDM2 Q00987 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL12465722 0.83 MAPT (0.60) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL12465757 0.82 MAPT (0.56) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL25401241 0.81 MAPT (0.57) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12465700 0.80 MAPT (0.48) MAPTKDM4ELPAR1LPAR3
SCHEMBL4037272 0.80 MAPT (0.54) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12465621 0.80 MAPT (0.56) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12466067 0.79 MAPT (0.61) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL25400791 0.78 MAPT (0.48) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL2761636 0.78 MAPT (0.53) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12468286 0.78 MAPT (0.48) MAPTKDM4EIP6K1IP6K3IP6K2

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