SCHEMBL10888564

SCHEMBL10888564

COC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1N(C(=O)OC(C)(C)C)C(=O)C(N)Cc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.53
▸ WDR5 P61964 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RBBP5 Q15291 1/20 0.47
▸ DPY30 Q9C005 1/20 0.47
▸ ASH2L Q9UBL3 1/20 0.47
▸ ADORA3 P0DMS8 4/20 0.46
▸ ADORA2B P29275 3/20 0.46
▸ HSP90B1 P14625 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL10884362 0.93 HSP90B1 (0.56) AHCYWDR5KMT2ARBBP5DPY30
SCHEMBL11198077 0.90 AHCY (0.54) AHCYWDR5KMT2ARBBP5DPY30
SCHEMBL10888445 0.90 AHCY (0.54) AHCYWDR5KMT2ARBBP5DPY30
SCHEMBL10886614 0.89 AHCY (0.51) AHCYWDR5KMT2ARBBP5DPY30
SCHEMBL11060572 0.82 ATM (0.46) AHCYWDR5KMT2ARBBP5DPY30
SCHEMBL11060597 0.82 TRDMT1 (0.54) AHCYADORA2BHSP90B1ADORA2A
SCHEMBL10882618 0.81 AHCY (0.49) AHCYADORA3HSP90B1
SCHEMBL10883715 0.80 TRDMT1 (0.49) AHCYADORA3ADORA2AADORA1
SCHEMBL10886531 0.80 HSP90B1 (0.54) AHCYKMT2AADORA3ADORA2BHSP90B1
SCHEMBL10885304 0.79 HSP90B1 (0.54) AHCYHSP90B1

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
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
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