SCHEMBL7777682

SCHEMBL7777682

CC(O)C(C)Nc1nc(N)nc(N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
IDH1 O75874 1/20 0.34
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR7 P34969 4/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
CDK1 P06493 3/20 0.31
CDK2 P24941 3/20 0.31
KDR P35968 2/20 0.31
CA2 P00918 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL7770134 0.84 GAA (0.42) KMT2ATDP1MAPK1HTTIDH1
SCHEMBL16005729 0.83 KMT2A (0.38) KMT2ATDP1MAPK1HTTIDH1
SCHEMBL6723863 0.82 KMT2A (0.36) KMT2ATDP1MAPK1HTTLMNA
SCHEMBL11126125 0.78 KMT2A (0.34) KMT2ATDP1MAPK1HTTIDH1
Formaldehyde SCHEMBL11222952 0.77 MAPK1 (0.37) KMT2ATDP1MAPK1HTTLMNA
SCHEMBL487591 0.77 LMNA (0.32) KMT2ATDP1MAPK1HTTLMNA
SCHEMBL8059668 0.77 GAA (0.52) KMT2ATDP1MAPK1HTTLMNA
SCHEMBL30147276 0.77 GAA (0.36) KMT2ATDP1MAPK1HTTLMNA
Hydrochloric Acid SCHEMBL11478940 0.75 GAA (0.50) KMT2ATDP1MAPK1HTTLMNA
SCHEMBL446445 0.73 LMNA (0.30) LMNA

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 2 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