SCHEMBL11054046

SCHEMBL11054046

COC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPEPPS P55786 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ANPEP P15144 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ HTT P42858 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ PAX8 Q06710 1/20 0.59
▸ ADORA2A P29274 4/20 0.49
▸ ADORA2B P29275 4/20 0.49
▸ DOT1L Q8TEK3 1/20 0.48

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
SCHEMBL10888188 0.87 ADORA2A (0.46) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL11057140 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10885822 0.83 ADORA2A (0.46) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886560 0.83 ADORA2A (0.49) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11198593 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886296 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Water SCHEMBL11057575 0.82 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL11200420 0.81 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10889749 0.81 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10888079 0.81 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP

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
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
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