SCHEMBL4239290

SCHEMBL4239290

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1N.COc1cc2nc(NC3CCNCC3)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.48
EHMT2 Q96KQ7 8/20 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 3/20 0.44
HRH1 P35367 2/20 0.44
SSTR1 P30872 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
DNMT3A Q9Y6K1 2/20 0.41
HTR2B P41595 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
SCHEMBL3782678 0.95 EHMT2 (0.51) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4232529 0.93 SSTR5 (0.48) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4220575 0.93 EHMT2 (0.47) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4231531 0.93 EHMT2 (0.48) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4222867 0.91 EHMT2 (0.49) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4235382 0.91 ALDH1A1 (0.47) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4234599 0.90 SSTR5 (0.51) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL4223216 0.88 SSTR5 (0.48) SSTR5EHMT2KDM1ARCOR1HRH1
SCHEMBL3776411 0.88 EHMT2 (0.51) SSTR5EHMT2EHMT1ALDH1A1HPGD
SCHEMBL3782683 0.88 EHMT2 (0.51) SSTR5EHMT2EHMT1ALDH1A1HPGD

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