SCHEMBL10885304

SCHEMBL10885304

CCOC(=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)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 1/20 0.54
▸ TRDMT1 O14717 2/20 0.50
▸ AHCY P23526 7/20 0.47
▸ NNMT P40261 1/20 0.45

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
SCHEMBL10886531 0.89 HSP90B1 (0.54) HSP90B1AHCY
SCHEMBL10882307 0.85 DOT1L (0.50) HSP90B1AHCY
SCHEMBL10884362 0.85 HSP90B1 (0.56) HSP90B1AHCYNNMT
SCHEMBL11198077 0.84 AHCY (0.54) HSP90B1TRDMT1AHCY
SCHEMBL10888445 0.84 AHCY (0.54) HSP90B1TRDMT1AHCY
SCHEMBL10882618 0.83 AHCY (0.49) HSP90B1TRDMT1AHCYNNMT
SCHEMBL11060597 0.83 TRDMT1 (0.54) HSP90B1TRDMT1AHCYNNMT
SCHEMBL10886614 0.80 AHCY (0.51) HSP90B1AHCYNNMT
SCHEMBL10888564 0.79 AHCY (0.53) HSP90B1AHCY
SCHEMBL11060572 0.78 ATM (0.46) HSP90B1TRDMT1AHCYNNMT

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 3 patents. 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
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 — — EP disclosed
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