SCHEMBL4237976

SCHEMBL4237976

CCOc1cc(CN2CCC(N(c3nc(OC)c4cc(OC)c(OC)cc4n3)N(c3nc(OC)c4cc(OC)c(OC)cc4n3)C3CCNCC3)CC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
SSTR5 P35346 11/20 0.43
HRH1 P35367 4/20 0.43
HTR2B P41595 2/20 0.43
NSD2 O96028 1/20 0.41
SSTR1 P30872 1/20 0.40
EHMT2 Q96KQ7 2/20 0.39
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NTSR1 P30989 1/20 0.38

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
SCHEMBL4381976 0.91 SLC2A1 (0.44) SLC2A1SSTR5HRH1HTR2BNSD2
SCHEMBL4232008 0.88 SLC2A1 (0.44) SLC2A1SSTR5NSD2EHMT2KDM1A
SCHEMBL4237355 0.82 SSTR5 (0.49) SSTR5HRH1HTR2BSSTR1MEN1
SCHEMBL4237974 0.82 SLC2A1 (0.43) SLC2A1SSTR5HRH1HTR2BNSD2
SCHEMBL3785396 0.80 SSTR5 (0.58) SSTR5HRH1HTR2BNSD2EHMT2
SCHEMBL4237980 0.79 SLC2A1 (0.42) SLC2A1SSTR5HRH1HTR2BNSD2
Hydrochloric Acid SCHEMBL4221593 0.76 SSTR5 (0.45) SLC2A1SSTR5HRH1HTR2BSSTR1
SCHEMBL4227033 0.75 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1
SCHEMBL4234809 0.75 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1
SCHEMBL4231381 0.74 EHMT2 (0.52) SSTR5HRH1HTR2BNSD2EHMT2

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