SCHEMBL4234599

SCHEMBL4234599

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1Cl.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.51
HRH1 P35367 3/20 0.51
HTR2B P41595 2/20 0.51
EHMT2 Q96KQ7 4/20 0.48
KDM1A O60341 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
EHMT1 Q9H9B1 2/20 0.46
NSD2 O96028 1/20 0.46
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.44

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
SCHEMBL3776930 0.96 SSTR5 (0.55) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL4231531 0.93 EHMT2 (0.48) SSTR5EHMT2KDM1ARCOR1ALDH1A1
SCHEMBL4231381 0.93 EHMT2 (0.52) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL4220575 0.90 EHMT2 (0.47) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL4239290 0.90 SSTR5 (0.48) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL4232529 0.90 SSTR5 (0.48) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3770726 0.90 ALDH1A1 (0.59) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL4222867 0.88 EHMT2 (0.49) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3778972 0.88 SSTR5 (0.53) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3783904 0.88 SSTR5 (0.53) SSTR5HRH1HTR2BEHMT2KDM1A

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