SCHEMBL10896369

SCHEMBL10896369

COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)NCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.52
DOT1L Q8TEK3 4/20 0.49
CARM1 Q86X55 2/20 0.48
PRKACA P17612 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPEPPS P55786 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
ANPEP P15144 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
PLA2G2A P14555 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90B1 P14625 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
SCHEMBL10884634 0.93 AHCY (0.56) AHCYDOT1LCARM1SMN1; SMN2NPEPPS
SCHEMBL11060614 0.90 ADORA2A (0.46) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10887902 0.89 AHCY (0.52) AHCYDOT1LCARM1PRKACASMN1; SMN2
SCHEMBL11052636 0.87 AHCY (0.57) AHCYDOT1LPRKACAHIF1APLA2G2A
SCHEMBL10887149 0.87 AHCY (0.62) AHCYDOT1LPRKACAHIF1APLA2G2A
SCHEMBL10885233 0.87 AHCY (0.62) AHCYDOT1LPRKACAHIF1APLA2G2A
SCHEMBL11060873 0.86 SMN1; SMN2 (0.62) AHCYDOT1LCARM1SMN1; SMN2NPEPPS
SCHEMBL11054697 0.83 ADORA3 (0.55) AHCYSMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10884370 0.83 SMN1; SMN2 (0.59) AHCYDOT1LCARM1SMN1; SMN2NPEPPS
SCHEMBL10886702 0.83 SMN1; SMN2 (0.59) AHCYDOT1LCARM1SMN1; SMN2NPEPPS

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