SCHEMBL735544

SCHEMBL735544

CONc1ncnc2c1ncn2[C@@]1(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2B P29275 1/20 0.39
LMNA P02545 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
RAB9A P51151 1/20 0.38
SLC29A1 Q99808 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 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
SCHEMBL735249 0.85 PRMT5 (0.34) ADORA3ADORA1PRMT5WDR77
SCHEMBL11040441 0.85 ADORA1 (0.40) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL28249867 0.84 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL7061902 0.82 ADORA2A (0.43) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL10481812 0.82 ADORA1 (0.37) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL735342 0.80 RNMT (0.31) ADORA3ADORA1PRMT5WDR77
SCHEMBL9773301 0.79 ADORA2A (0.36) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL9354230 0.75 MEN1 (0.38) ADORA3ADORA2AADORA1ADORA2BNFKB1
SCHEMBL10430365 0.73 ADORA2A (0.42) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL6869101 0.73 ADORA3 (0.42) ADORA3TSHR

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed