SCHEMBL21748352

SCHEMBL21748352

Nc1nc2[nH]cnc2c(=O)n1CC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
PNP P00491 11/20 0.38
MMP9 P14780 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AHCY P23526 1/20 0.34
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7617790 0.87 PNP (0.36) ADORA2AADORA2BPNP
SCHEMBL601906 0.84 PNP (0.34) ADORA2AADORA2BPNP
SCHEMBL5503490 0.82 ADORA2A (0.49) ADORA2AADORA2BADORA1PNPSMN1; SMN2
SCHEMBL9960806 0.80 PNP (0.38) ADORA2AADORA2BPNPLMNA
SCHEMBL7173171 0.79 ADORA2A (0.40) ADORA2AADORA2BADORA1PNP
SCHEMBL16106177 0.79 ADORA2A (0.37) ADORA2AADORA2BADORA1LMNA
SCHEMBL6464905 0.78 PNP (0.35) ADORA2AADORA2BPNPLMNA
SCHEMBL874734 0.77 ADORA2A (0.45) ADORA2AADORA2BPNP
SCHEMBL2113436 0.77 ADORA2A (0.33) ADORA2AADORA2BADORA1PNP
SCHEMBL5048171 0.77 PNP (0.39) ADORA2BPNP

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-3693463-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF THE ALAS1 GENE Alnylam Pharmaceuticals, Inc. (US) 2020-08-12 EP disclosed
EP-3052628-B1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF THE ALAS1 GENE ALNYLAM PHARMACEUTICALS INC (US) 2020-02-26 EP disclosed