SCHEMBL14710259

SCHEMBL14710259

C[C@@H](OC(=O)Nc1ncsc1Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.48
LPAR3 Q9UBY5 4/20 0.46
HCAR2 Q8TDS4 1/20 0.40
GRM5 P41594 3/20 0.39
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 2/20 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
SCHEMBL14790388 0.83 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL14712115 0.78 LPAR1 (0.48) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14710709 0.74 POLB (0.51) CYP2C9
SCHEMBL14711438 0.73 LPAR1 (0.45) LPAR1LPAR3HCAR2GRM5OPRM1
SCHEMBL14710336 0.73 LPAR1 (0.48) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL28571893 0.73 KLK7 (0.54) LPAR1LPAR3HCAR2GRM5OPRM1
SCHEMBL28568899 0.73 KLK7 (0.54) LPAR1LPAR3HCAR2GRM5OPRM1
SCHEMBL14790385 0.73 LPAR1 (0.47) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9915924 0.72 LPAR1 (0.48) LPAR1LPAR3HCAR2OPRM1
SCHEMBL9915926 0.72 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed