SCHEMBL11198776

SCHEMBL11198776

CC(C)(C)OC(=O)NCC(=O)N(c1ccccc1)[C@H]1[C@@H](O)[C@@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.54
▸ AHCY P23526 6/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ HSP90B1 P14625 4/20 0.50
▸ ADORA3 P0DMS8 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ HSP90AA1 P07900 3/20 0.50
▸ ADORA2B P29275 3/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TMIGD3 P0DMS9 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL10885019 1.00 DOT1L (0.54) DOT1LAHCYHIF1ATMEM97SIGMAR1
SCHEMBL10885160 0.88 ADORA2A (0.46) ADORA2BADORA2A
SCHEMBL10886173 0.86 AHCY (0.64) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL10886606 0.83 AHCY (0.65) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL10884776 0.74 AHCY (0.51) DOT1LAHCYHIF1ATMEM97SIGMAR1
SCHEMBL10884690 0.74 TRDMT1 (0.49) DOT1LAHCYHIF1AADORA2BADORA2A
SCHEMBL10885013 0.73 AHCY (0.51) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL10887916 0.73 AHCY (0.54) DOT1LAHCYHIF1AHSP90B1
SCHEMBL10884608 0.73 TRDMT1 (0.51) DOT1LAHCYHIF1ATMEM97SIGMAR1
SCHEMBL10886849 0.73 TRDMT1 (0.51) DOT1LAHCYHIF1ATMEM97SIGMAR1

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-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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