SCHEMBL4413474

SCHEMBL4413474

CCN(c1ccccc1)c1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)ccc3OC)c3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.53
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SCARB1 Q8WTV0 6/20 0.41
GSK3A P49840 1/20 0.40

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
SCHEMBL1600554 0.88 MAPK14 (0.57) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4413523 0.88 MAPK14 (0.58) MAPK14SCARB1GSK3A
SCHEMBL4949388 0.87 MAPK14 (0.51) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1599651 0.84 MAPK14 (0.73) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4418875 0.81 MAPK14 (0.59) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL6165369 0.81 MAPK14 (0.58) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1601023 0.81 MAPK14 (0.58) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4949036 0.80 MAPK14 (0.60) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4944531 0.80 MAPK14 (0.54) MAPK14KDM4EMAPTSCARB1
SCHEMBL1599955 0.79 MAPK14 (0.62) MAPK14SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed