SCHEMBL4220575

SCHEMBL4220575

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1Br.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 10/20 0.47
EHMT1 Q9H9B1 6/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
NSD2 O96028 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DNMT3A Q9Y6K1 2/20 0.41
SSTR5 P35346 2/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NTSR1 P30989 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL3776925 0.95 EHMT2 (0.51) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4239290 0.93 SSTR5 (0.48) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4232529 0.93 SSTR5 (0.48) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4231531 0.93 EHMT2 (0.48) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4226230 0.93 EHMT2 (0.49) EHMT2EHMT1KDM1ARCOR1NSD2
SCHEMBL4222867 0.91 EHMT2 (0.49) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4235382 0.91 ALDH1A1 (0.47) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL4234599 0.90 SSTR5 (0.51) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL3776411 0.88 EHMT2 (0.51) EHMT2EHMT1ALDH1A1HPGDHIF1A
SCHEMBL3782683 0.88 EHMT2 (0.51) EHMT2EHMT1ALDH1A1HPGDHIF1A

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