SCHEMBL7777696

SCHEMBL7777696

Nc1nc(N)nc(NCCOCCOCCOCCO)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.51
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR7 P34969 5/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
LATS1 O95835 1/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2370363 0.98 KCNH3 (0.53) KCNH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL2843832 0.95 KCNH3 (0.56) KCNH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL8467538 0.88 KCNH3 (0.51) KCNH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL1292560 0.85 KCNH3 (0.65) KCNH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL31041787 0.84 ADORA2A (0.36) KCNH3CA1CA2CA9HTR7
Triethylene Glycol SCHEMBL29113196 0.82 MEN1 (0.58) KCNH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL8907825 0.82 KCNH3 (0.43) KCNH3MEN1KMT2AALDH1A1HTR7
SCHEMBL3795042 0.81 CA1 (0.37) KCNH3CA1CA2CA9HTR7
SCHEMBL8466184 0.81 KCNH3 (0.45) KCNH3MEN1KMT2AALDH1A1HTR7
SCHEMBL8468290 0.81 KCNH3 (0.45) KCNH3MEN1KMT2AALDH1A1HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed