SCHEMBL8854656

SCHEMBL8854656

CCCOC(Nc1nc(N)nc(N)n1)(OCCC)OCCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
HTR7 P34969 2/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PIN1 Q13526 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL5157470 0.89 CDK1 (0.38) HSD17B10LMNAHTTCDK1CCNB1
SCHEMBL9504245 0.85 MAPT (0.32) LMNAHTTCDK1CCNB1NPC1
SCHEMBL5848944 0.81
SCHEMBL16423545 0.79 CDK1 (0.34) HSD17B10LMNAHTTCDK1CCNB1
SCHEMBL5158779 0.76 NPSR1 (0.49) CDK1CDK2TLR8
SCHEMBL313536 0.74 MAPT (0.37) HSD17B10HTTTP53GAA
SCHEMBL6727244 0.71 LMNA (0.38) HSD17B10LMNAHTTCDK1CCNB1
SCHEMBL4452232 0.70 CDK1 (0.32) HSD17B10LMNAHTTCDK1CCNB1
SCHEMBL1012240 0.69 CDK1 (0.31) HSD17B10LMNAHTTCDK1CCNB1
SCHEMBL18944170 0.68 PDE4A (0.52) LMNANPC1GAARAB9ATLR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677380-A COATING ON IRREGULAR SURFACE MATERIAL COMPRISING ADDITION POLYMER, HEAT CURING AGENT, HALATION PREVENTIVE AGENT, HEATING TO FLUIDIZE AND CURE FILM TOSOH CORPORATION (JP) 1997-10-14 US disclosed