SCHEMBL7776192

SCHEMBL7776192

CCCCCCCCCCCCNc1nc(N)nc(NCCCC)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
TLR8 Q9NR97 13/20 0.54
TLR7 Q9NYK1 5/20 0.54
KCNH3 Q9ULD8 2/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
CDK9 P50750 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DNM2 P50570 1/20 0.47

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
SCHEMBL7774848 1.00 KMT2A (0.56) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL3299053 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL19719704 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL1032509 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL8050064 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL3297690 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL3297526 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL3295770 0.98 KMT2A (0.57) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL19594200 0.96 KCNH3 (0.54) KMT2ATLR8TLR7KCNH3KDM4E
SCHEMBL4451532 0.94 KMT2A (0.53) KMT2ATLR8TLR7KCNH3KDM4E

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