SCHEMBL5488332

SCHEMBL5488332

Cc1ccc(C(=O)NCCO)cc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.59
HSPB1 P04792 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK11 Q15759 1/20 0.53
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHUK O15111 1/20 0.46
INSR P06213 1/20 0.46
MAPK8 P45983 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL6656679 0.87 MAPK14 (0.67) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL6275051 0.84 MAPK14 (0.54) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL28441973 0.82 CA12 (0.67) POLBHPGDHTTCA12CA1
SCHEMBL5632303 0.82 MAPK14 (0.86) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL3001574 0.80 CA12 (0.58) POLBHPGDHTTCA12CA1
SCHEMBL13146376 0.80 MAPK14 (0.79) MAPK14HSPB1CYP2C9MAPK11
SCHEMBL16888470 0.79 POLB (0.60) MAPK14POLBHPGDHTTKDM4E
SCHEMBL5101794 0.78 MAPK14 (0.70) MAPK14HSPB1CYP2C9MAPK11HPGD
SCHEMBL4877481 0.77 MAPK14 (0.43) MAPK14HSPB1CYP2C9MAPK11POLB
SCHEMBL6655486 0.77 S1PR4 (0.67) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611085-B1 BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-02-28 EP disclosed
EP-1435936-A1 5'-CARBAMOYL-1,1-BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032972-A1 5’-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed