SCHEMBL8972045

SCHEMBL8972045

CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
PNP P00491 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL8972094 0.88 TYMP (0.38) KDM4EADORA3ADORA1PNPLMNA
SCHEMBL18844546 0.88 KDM4E (0.48) KDM4EADORA3ADORA1
SCHEMBL30002378 0.86 ADORA2A (0.52) ADORA3ADORA1
SCHEMBL29776895 0.86 KDM4E (0.46) KDM4EADORA3ADORA1
SCHEMBL17943450 0.86 KDM4E (0.46) KDM4EADORA3ADORA1
SCHEMBL17676618 0.86 KDM4E (0.46) KDM4EADORA3ADORA1
SCHEMBL18462900 0.86 KDM4E (0.46) KDM4EADORA3ADORA1
SCHEMBL14985923 0.86 KDM4E (0.46) KDM4EADORA3ADORA1
SCHEMBL6899599 0.85 ADORA3 (0.40) ADORA3ADORA1PNPLMNATP53
SCHEMBL25496787 0.82 ADORA2A (0.44) ADORA3ADORA1

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-5541307-A Backbone modified oligonucleotide analogs and solid phase synthesis thereof ISIS PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed