SCHEMBL11052640

SCHEMBL11052640

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](N(C(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.60
▸ DOT1L Q8TEK3 5/20 0.52
▸ ATM Q13315 1/20 0.51
▸ HIF1A Q16665 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ HSP90B1 P14625 1/20 0.46
▸ TRDMT1 O14717 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ NNMT P40261 1/20 0.46

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
SCHEMBL10887158 0.96 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10885247 0.96 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10884643 0.95 AHCY (0.59) AHCYDOT1LATMHIF1ATMEM97
SCHEMBL10883897 0.89 ADORA2A (0.48) AHCYDOT1LATMADORA2AADORA2B
SCHEMBL11059822 0.88 TRDMT1 (0.57) AHCYDOT1LATMHIF1ATMEM97
SCHEMBL10883817 0.88 AHCY (0.66) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10896379 0.87 AHCY (0.54) AHCYDOT1LATMHIF1AHSP90B1
SCHEMBL11054057 0.86 TRDMT1 (0.59) AHCYATMHIF1ATMEM97SIGMAR1
SCHEMBL10887916 0.85 AHCY (0.54) AHCYDOT1LATMHIF1AHSP90B1
SCHEMBL10885276 0.84 ADORA2A (0.52) AHCYDOT1LADORA2AADORA2B

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
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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