SCHEMBL11198593

SCHEMBL11198593

COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
NPEPPS P55786 3/20 0.66
TP53 P04637 2/20 0.66
CYP3A4 P08684 2/20 0.66
HIF1A Q16665 2/20 0.66
ANPEP P15144 1/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
PAX8 Q06710 1/20 0.65
ATM Q13315 1/20 0.59
TRDMT1 O14717 1/20 0.57
DOT1L Q8TEK3 1/20 0.55
AHCY P23526 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CARM1 Q86X55 2/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 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
SCHEMBL10886296 1.00 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Water SCHEMBL11057575 0.99 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL10889749 0.98 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL11200420 0.98 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL10888079 0.98 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL11054040 0.94 SMN1; SMN2 (0.60) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL11057140 0.93 SMN1; SMN2 (0.67) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL10886428 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL11063130 0.92 ATM (0.60) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL10884983 0.91 DOT1L (0.59) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A

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 claimed