SCHEMBL7523809

SCHEMBL7523809

COc1ccccc1C(c1ccccc1)(c1ccccc1)C(O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
P2RY12 Q9H244 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
BMPR1B O00238 1/20 0.43

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
SCHEMBL439195 0.98 PRMT5 (0.45) PRMT5WDR77P2RY12ADORA2AADORA2B
SCHEMBL2115365 0.91 PRMT5 (0.46) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL30901148 0.91 ADORA2A (0.54) PRMT5WDR77P2RY12ADORA2AADORA2B
SCHEMBL439196 0.91 ADORA2A (0.54) PRMT5WDR77P2RY12ADORA2AADORA2B
SCHEMBL9024698 0.91 P2RY12 (0.49) PRMT5WDR77P2RY12ADORA2AADORA2B
SCHEMBL888000 0.85 ADORA3 (0.43) P2RY12ADORA2AADORA3
SCHEMBL2112012 0.85 ADORA3 (0.43) P2RY12ADORA3
SCHEMBL9294052 0.85 ADORA2A (0.49) P2RY12ADORA2AADORA2BADORA3
SCHEMBL2115367 0.84 ADORA2A (0.55) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL9155236 0.84 TAS1R3 (0.36) PRMT5WDR77

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-1186306-A1 Labeled nucleosides and method for their preparation K.U. Leuven Research & Development (BE) 2002-03-13 EP disclosed
WO-2001085220-A1 LABELED NUCLEOSIDES AND METHOD FOR THEIR PREPARATION RNA-TEC N.V. (BE) 2001-11-15 WO disclosed