SCHEMBL11304537

SCHEMBL11304537

CC(C)CCOc1nc(O)nc(OCCC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
EPHX2 P34913 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTT P42858 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ACACB O00763 1/20 0.33
IDO1 P14902 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL23559726 0.81 TDP1 (0.42) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL11274411 0.78 ESR1 (0.39) MAPK1CDK1CCNB1CCNA2CDK2
SCHEMBL21876011 0.78 TDP1 (0.44) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL23689846 0.75 ALOX5 (0.42) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL11283941 0.74 TLR7 (0.35) MAPK1HTT
SCHEMBL8384756 0.73 ALOX5 (0.47) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL10203001 0.73 RAB9A (0.45) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL11270818 0.72 LTA4H (0.42) MAPK1ESR1RAB9A
SCHEMBL8384828 0.72 CDK1 (0.41) TDP1MAPK1CDK1CCNB1CCNA2
SCHEMBL23567576 0.72 CDK1 (0.36) TDP1MAPK1CDK1CCNB1CCNA2

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-4320126-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-16 US disclosed