SCHEMBL188351

SCHEMBL188351

CN(C)C(O)CCc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7815415 0.80 TAAR1 (0.48) KDM4E
SCHEMBL8845221 0.78 TYR (0.40)
SCHEMBL5587207 0.77 MMP12 (0.35)
SCHEMBL10642266 0.77 TAAR1 (0.52) KDM4E
SCHEMBL6568148 0.74 ALDH1A1 (0.39) KDM4E
SCHEMBL20483112 0.74 ANPEP (0.36)
SCHEMBL24072 0.73 AOC3 (0.34)
SCHEMBL6199970 0.72 THRB (0.37)
SCHEMBL28529484 0.71 AOC3 (0.33)
SCHEMBL16991374 0.69 TSHR (0.31)

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-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed