SCHEMBL4226771

SCHEMBL4226771

C=CCOc1cc(CN2CCC(Nc3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC.COc1cc2nc(NC3CCNCC3)nc(N3CCCCC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.49
KDM1A O60341 5/20 0.49
RCOR1 Q9UKL0 5/20 0.49
APP P05067 1/20 0.49
NSD2 O96028 1/20 0.46
TLR7 Q9NYK1 2/20 0.44
SSTR5 P35346 2/20 0.43
EHMT1 Q9H9B1 1/20 0.43

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
SCHEMBL3772515 0.96 EHMT2 (0.53) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL4230308 0.93 APP (0.48) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL4234177 0.90 EHMT2 (0.51) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL4230764 0.89 TLR7 (0.58) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3777259 0.88 EHMT2 (0.51) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3775638 0.87 SSTR5 (0.55) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL4231381 0.86 EHMT2 (0.52) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3775880 0.86 SSTR5 (0.57) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3774437 0.85 EHMT2 (0.55) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3781568 0.85 SSTR5 (0.57) EHMT2KDM1ARCOR1APPNSD2

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
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed