SCHEMBL8768130

SCHEMBL8768130

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA3 P0DMS8 7/20 0.56
ADORA1 P30542 6/20 0.56
CYP1A2 P05177 2/20 0.50
ADORA2B P29275 1/20 0.50
THPO P40225 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
BLM P54132 1/20 0.50
SLC29A1 Q99808 1/20 0.49
PGK1 P00558 1/20 0.48
PGK2 P07205 1/20 0.48

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
SCHEMBL14665042 0.90 ADORA2A (0.53) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL14665046 0.90 ADORA2A (0.53) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL1066408 0.90 ADORA2A (0.53) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL30002378 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL25496787 0.83 ADORA2A (0.44) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL18479661 0.78 SLC29A1 (0.61) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL27621467 0.77 SLC29A1 (0.66) ADORA2AADORA3ADORA1CYP1A2ADORA2B
SCHEMBL30002219 0.76 TYMP (0.56) ADORA1
SCHEMBL8972045 0.76 KDM4E (0.44) ADORA3ADORA1
SCHEMBL26622653 0.76 ACHE (0.52) ADORA2AADORA3ADORA1SLC29A1

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
EP-0592511-B1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC (US) 1997-08-20 EP disclosed
US-5166315-A Polynucleotides for genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1992-11-24 US disclosed