SCHEMBL10885652

SCHEMBL10885652

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@@H](NC(=O)C(N)Cc2ccc([N+](=O)[O-])cc2)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRDMT1 O14717 1/20 0.58
DOT1L Q8TEK3 1/20 0.55
HIF1A Q16665 2/20 0.54
AHCY P23526 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
NPEPPS P55786 3/20 0.53
ATM Q13315 1/20 0.53
NNMT P40261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
ANPEP P15144 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 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
SCHEMBL10884983 0.91 DOT1L (0.59) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL11204220 0.90 DOT1L (0.58) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL10885975 0.90 DOT1L (0.58) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL11203369 0.90 NPEPPS (0.64) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL10889028 0.90 NPEPPS (0.64) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL10883740 0.90 NPEPPS (0.64) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL10887152 0.89 DOT1L (0.57) DOT1LHIF1AAHCYTMEM97SIGMAR1
SCHEMBL10883905 0.89 DOT1L (0.57) TRDMT1DOT1LHIF1AAHCYTMEM97
SCHEMBL10886296 0.87 SMN1; SMN2 (0.66) TRDMT1DOT1LHIF1AAHCYTMEM97
SCHEMBL11198593 0.87 SMN1; SMN2 (0.66) TRDMT1DOT1LHIF1AAHCYTMEM97

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