SCHEMBL10884362

SCHEMBL10884362

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)Cc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 2/20 0.56
▸ AHCY P23526 9/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ WDR5 P61964 1/20 0.47
▸ RBBP5 Q15291 1/20 0.47
▸ DPY30 Q9C005 1/20 0.47
▸ ASH2L Q9UBL3 1/20 0.47
▸ TSHR P16473 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NNMT P40261 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
SCHEMBL10888564 0.93 AHCY (0.53) HSP90B1AHCYKMT2AWDR5RBBP5
SCHEMBL10885304 0.85 HSP90B1 (0.54) HSP90B1AHCYNNMT
SCHEMBL10886531 0.85 HSP90B1 (0.54) HSP90B1AHCYKMT2ATSHRADORA3
SCHEMBL11198077 0.83 AHCY (0.54) HSP90B1AHCYKMT2AWDR5RBBP5
SCHEMBL10888445 0.83 AHCY (0.54) HSP90B1AHCYKMT2AWDR5RBBP5
SCHEMBL10886614 0.82 AHCY (0.51) HSP90B1AHCYKMT2AWDR5RBBP5
SCHEMBL10882307 0.82 DOT1L (0.50) HSP90B1AHCY
SCHEMBL11060572 0.81 ATM (0.46) HSP90B1AHCYKMT2AWDR5RBBP5
SCHEMBL10882618 0.80 AHCY (0.49) HSP90B1AHCYADORA3NNMT
SCHEMBL11060597 0.79 TRDMT1 (0.54) HSP90B1AHCYADORA2AADORA2BNNMT

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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