SCHEMBL12465743

SCHEMBL12465743

Cc1noc(-c2ccc(NS(C)(=O)=O)c(Cl)c2)c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 2/20 0.43
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
BRD4 O60885 2/20 0.39
BRD2 P25440 2/20 0.39
BRD3 Q15059 2/20 0.39
FTO Q9C0B1 3/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 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
SCHEMBL12465702 0.88 MAPT (0.44) MAPTKDM4ETP53LPAR1LPAR3
SCHEMBL12465973 0.86 MAPT (0.40) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL15451660 0.81 LPAR1 (0.64) MAPTKDM4ETP53LPAR1LPAR3
SCHEMBL12465889 0.81 MAPT (0.53) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL27947857 0.79 MAPT (0.39) MAPTTP53BRD4BRD2BRD3
SCHEMBL12466209 0.77 MAPT (0.45) MAPTKDM4ELPAR1LPAR3POLB
SCHEMBL15451661 0.75 LPAR1 (0.63) MAPTKDM4ETP53LPAR1LPAR3
SCHEMBL4030049 0.74 MAPT (0.60) MAPTKDM4ETP53LPAR1LPAR3
SCHEMBL15437642 0.74 LPAR1 (0.38) MAPTKDM4ETP53LPAR1LPAR3
SCHEMBL12467498 0.73 MAPT (0.52) MAPTKDM4ELPAR1LPAR3LPAR2

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