SCHEMBL11257385

SCHEMBL11257385

c1ccc(Nc2nc(NSc3ccccc3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.55
KCNH3 Q9ULD8 6/20 0.50
NFKB1 P19838 1/20 0.50
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RHOA P61586 1/20 0.45
IDH2 P48735 1/20 0.45
DDX3X O00571 1/20 0.45
NPY5R Q15761 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL633400 0.81 MEN1 (0.77) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11248766 0.78 TDP1 (0.46) MEN1MAPTKMT2AGAAKDM4E
SCHEMBL11028109 0.78 KMT2A (0.52) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11026995 0.77 IDH1 (0.44) MEN1MAPTKMT2AMAPK1RECQL
SCHEMBL8075837 0.77 MEN1 (0.60) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL18123046 0.77 MEN1 (0.71) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL13752172 0.76 MEN1 (0.53) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11246378 0.74 NPC1 (0.46) MAPTGAAMAPK1LMNANPC1
SCHEMBL11246375 0.74 KCNH3 (0.61) MEN1MAPTKMT2AGAAMAPK1
SCHEMBL11254098 0.74 NPC1 (0.49) MEN1MAPTKMT2ALMNAIDH2

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
US-4339577-A CROSSLINKING INHIBITORS FOR RUBBERS MONSANTO COMPANY (US) 1982-07-13 US disclosed
US-4301260-A Vulcanizable rubber compositions scorch inhibited by 2-(thioamino)-4,6-diamino-1,3,5-triazines MONSANTO COMPANY (US) 1981-11-17 US disclosed