SCHEMBL8467679

SCHEMBL8467679

Nc1nc(NCCCO)nc(C2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
SLC29A1 Q99808 3/20 0.35
KCNH3 Q9ULD8 2/20 0.35
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
HTR1A P08908 3/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
HTR7 P34969 3/20 0.33
HTR6 P50406 3/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL8468432 0.91 NUDT1 (0.38) NUDT1CDK1CDK2KCNH3TLR7
SCHEMBL8853145 0.90 CDK1 (0.35) NUDT1CDK1CDK2SLC29A1KCNH3
SCHEMBL8468569 0.83 TLR7 (0.42) KCNH3NPC1MITFRAB9AMEN1
SCHEMBL8523425 0.83 HRH4 (0.40) CDK1SLC29A1MEN1KMT2AHRH4
SCHEMBL8468640 0.82 HRH4 (0.40) CDK1SLC29A1MEN1KMT2AHRH4
SCHEMBL8853173 0.81 KCNH3 (0.46) CDK1CDK2SLC29A1KCNH3MEN1
SCHEMBL8468651 0.80 SLC29A1 (0.38) CDK1CDK2SLC29A1MEN1KMT2A
SCHEMBL8468626 0.80 SLC29A1 (0.45) CDK1CDK2SLC29A1KCNH3MEN1
SCHEMBL27559534 0.78 TLR8 (0.43) SLC29A1NPC1RAB9AMEN1KMT2A
SCHEMBL6638595 0.78 NUDT1 (0.49) NUDT1CDK1CDK2SLC29A1KCNH3

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