SCHEMBL8467706

SCHEMBL8467706

Nc1nc(NCCO)nc(-c2nc(NCCO)nc(NCCO)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC29A1 Q99808 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR68 Q15743 3/20 0.41
HTR2B P41595 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
ADORA2A P29274 1/20 0.41
HTR1A P08908 1/20 0.40
CDK9 P50750 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1031350 0.92 KMT2A (0.50) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL18062210 0.90 RECQL (0.48) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL1033545 0.87 KMT2A (0.50) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL8467538 0.83 KCNH3 (0.51) KMT2AMEN1MAPK1NPSR1GPR68
SCHEMBL8039504 0.82 KMT2A (0.47) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL8410920 0.81 NPSR1 (0.68) RECQLMCL1MAPK1GAANPSR1
SCHEMBL18465161 0.81 KMT2A (0.50) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL1032510 0.80 KMT2A (0.60) RECQLMCL1KMT2AMEN1MAPK1
SCHEMBL14725038 0.79 SLC29A1 (0.63) KMT2AMEN1MAPK1GAASLC29A1
SCHEMBL6641730 0.79 KCNH3 (0.51) RECQLMCL1KMT2AMEN1MAPK1

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-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US disclosed