SCHEMBL6017073

SCHEMBL6017073

COc1ccc(N(C)c2nc(NC3CCN(C)CC3)nc(OC3CC4CCC3C4)n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 12/20 0.44
EHMT1 Q9H9B1 10/20 0.44
BCL6 P41182 1/20 0.42
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6207770 0.90 EHMT2 (0.44) EHMT2EHMT1BCL6KDM1ARCOR1
SCHEMBL5033403 0.79 MAPT (0.45) EHMT2EHMT1BCL6PDE4APDE4B
SCHEMBL6016637 0.78 EHMT2 (0.48) EHMT2EHMT1BCL6KDM1ARCOR1
SCHEMBL6017083 0.77 BCL6 (0.47) EHMT2EHMT1BCL6KDM1ARCOR1
SCHEMBL4839209 0.76 EHMT2 (0.50) EHMT2EHMT1BCL6KDM1ARCOR1
SCHEMBL14274163 0.76 MAPT (0.45) EHMT2EHMT1BCL6
SCHEMBL5457407 0.71 EHMT2 (0.53) EHMT2EHMT1BCL6KDM1ARCOR1
SCHEMBL4838760 0.71 GALR1 (0.41) EHMT2EHMT1BCL6PDGFRBPDGFRA
SCHEMBL5029049 0.69 MAPT (0.48) BCL6
SCHEMBL5032475 0.68 EHMT2 (0.49) EHMT2EHMT1BCL6ALDH1A1CYP3A4

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
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed