SCHEMBL2335443

SCHEMBL2335443

Cc1cc(-c2onc(C)c2NC(=O)OCCc2ccccc2F)ccc1-c1ccc(C(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.37
LPAR3 Q9UBY5 3/20 0.37
F10 P00742 3/20 0.35
F9 P00740 1/20 0.35
PLAU P00749 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
LPAR2 Q9HBW0 2/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33

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
SCHEMBL1247167 0.87 SCN9A (0.43) F10F9PLAUSCN5ASCN9A
SCHEMBL2333914 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2341940 0.85 LPAR1 (0.42) LPAR1LPAR3SCN5ASCN9ALPAR2
SCHEMBL2338472 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL2338258 0.84 LPAR1 (0.41) LPAR1LPAR3SCN5ASCN9ALPAR2
SCHEMBL2337918 0.83 LPAR1 (0.41) LPAR1LPAR3SCN5ASCN9ALPAR2
SCHEMBL2290758 0.82 LPAR1 (0.49) LPAR1LPAR3F10F9PLAU
SCHEMBL2335998 0.79 LPAR1 (0.48) LPAR1LPAR3SCN5ASCN9ALPAR2
SCHEMBL2335542 0.76 LPAR1 (0.61) LPAR1LPAR3SCN5ASCN9ALPAR2
SCHEMBL2342657 0.76 LPAR1 (0.48) LPAR1LPAR3SCN5ASCN9ALPAR2

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
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed