SCHEMBL7982595

SCHEMBL7982595

CCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 19/20 0.86
EHMT1 Q9H9B1 5/20 0.86
NSD2 O96028 3/20 0.86
NSD3 Q9BZ95 3/20 0.86
NPC1 O15118 1/20 0.86
KDM1A O60341 1/20 0.86
MTOR P42345 1/20 0.86
RAB9A P51151 1/20 0.86
EZH2 Q15910 1/20 0.80
DNMT3A Q9Y6K1 1/20 0.70

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
SCHEMBL29351415 0.93 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
SCHEMBL366593 0.93 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
Water SCHEMBL21610936 0.92 EHMT2 (0.98) EHMT2EHMT1NSD2NSD3NPC1
Hydrochloric Acid SCHEMBL20535174 0.92 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
Hydrochloric Acid SCHEMBL2595237 0.92 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
Hydrochloric Acid SCHEMBL29849313 0.92 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
Hydrochloric Acid SCHEMBL15668608 0.91 EHMT2 (0.98) EHMT2EHMT1NSD2NSD3NPC1
SCHEMBL21593815 0.90 EHMT2 (0.88) EHMT2EHMT1NSD2NSD3NPC1
SCHEMBL14940754 0.89 EHMT2 (1.00) EHMT2EHMT1NSD2NSD3NPC1
SCHEMBL15280407 0.88 EHMT2 (0.94) EHMT2EHMT1NSD2NSD3NPC1

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
WO-2009126537-A1 ADMINISTRATION OF AN INHIBITOR OF HDAC AND AN HMT INHIBITOR SYNDAX PHARMACEUTICALS, INC. (US) 2009-10-15 WO disclosed