SCHEMBL4222867

SCHEMBL4222867

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 11/20 0.49
EHMT1 Q9H9B1 6/20 0.49
KDM1A O60341 2/20 0.47
RCOR1 Q9UKL0 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
SSTR5 P35346 2/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 1/20 0.45
NSD2 O96028 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
DNMT3A Q9Y6K1 2/20 0.42

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
SCHEMBL3775840 0.95 EHMT2 (0.53) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4231753 0.92 EHMT2 (0.49) EHMT2EHMT1KDM1ARCOR1NSD2
SCHEMBL4232529 0.91 SSTR5 (0.48) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4239290 0.91 SSTR5 (0.48) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4220575 0.91 EHMT2 (0.47) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4231531 0.91 EHMT2 (0.48) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4227951 0.90 EHMT2 (0.46) EHMT2EHMT1KDM1ARCOR1SSTR5
SCHEMBL4235382 0.89 ALDH1A1 (0.47) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL4234599 0.88 SSTR5 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776126 0.87 EHMT2 (0.53) EHMT2EHMT1KDM1ARCOR1NSD2

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