SCHEMBL10885338

SCHEMBL10885338

NCCCC[C@H](N)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.60
AHCY P23526 2/20 0.60
HIF1A Q16665 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
PRMT1 Q99873 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
PRKACA P17612 2/20 0.54
EHMT2 Q96KQ7 2/20 0.54
NSD2 O96028 2/20 0.53
PCMT1 P22061 2/20 0.53
DOT1L Q8TEK3 2/20 0.53
SETD7 Q8WTS6 2/20 0.53
HSP90B1 P14625 2/20 0.53
TRDMT1 O14717 1/20 0.53
PRMT5 O14744 1/20 0.53
RNMT O43148 1/20 0.53
INMT O95050 1/20 0.53
TPMT P51580 1/20 0.53

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
SCHEMBL10886080 0.90 AHCY (0.62) NNMTAHCYHIF1ATMEM97SIGMAR1
SCHEMBL10887652 0.88 AHCY (0.55) NNMTAHCYHIF1ATMEM97SIGMAR1
SCHEMBL11059806 0.85 ATM (0.59) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10886589 0.85 AHCY (0.67) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10889028 0.85 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL11203369 0.85 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10883740 0.85 NPEPPS (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10884983 0.84 DOT1L (0.59) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL11204220 0.83 DOT1L (0.58) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL10885975 0.83 DOT1L (0.58) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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
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