SCHEMBL7251830

SCHEMBL7251830

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)C(=O)C(C)C)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HPGD P15428 1/20 0.42
POLA1 P09884 1/20 0.41
ADORA2A P29274 6/20 0.41
ADORA3 P0DMS8 7/20 0.38
ADORA2B P29275 4/20 0.38
ADORA1 P30542 4/20 0.38
ADA P00813 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL38653234 0.89 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL29479239 0.89 KDM4E (0.52) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL29479241 0.89 KDM4E (0.52) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL29138074 0.87 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL24049319 0.85 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL24049587 0.85 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL25589113 0.85 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL31032002 0.85 KDM4E (0.56) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL1378141 0.84 KDM4E (0.60) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL1378135 0.84 KDM4E (0.60) KDM4ETAS1R3TAS1R1HPGDPOLA1

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-6531584-B1 Nuclease resistant oligonucleotide analogs; DNA or RNA modulation; diagnosis, thearpy of viral diseases ISIS PHARMACEUTICALS, INC. 2003-03-11 US disclosed