SCHEMBL10885822

SCHEMBL10885822

COC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@@H]1N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.46
▸ ADORA2B P29275 6/20 0.46
▸ AHCY P23526 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPEPPS P55786 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PAX8 Q06710 1/20 0.45

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
SCHEMBL10886574 0.96 ADORA2A (0.49) ADORA2AADORA2BAHCYSMN1; SMN2NPEPPS
SCHEMBL11060622 0.93 ADORA2A (0.45) ADORA2AADORA2BSMN1; SMN2NPEPPSTP53
SCHEMBL10883897 0.91 ADORA2A (0.48) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10887386 0.91 ADORA2A (0.52) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10885276 0.91 ADORA2A (0.52) ADORA2AADORA2BAHCYNPEPPS
SCHEMBL10885962 0.88 ADORA2A (0.46) ADORA2AADORA2BAHCYSMN1; SMN2NPEPPS
SCHEMBL10884643 0.85 AHCY (0.59) AHCYSMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10885229 0.85 ADORA2A (0.52) ADORA2AADORA2BAHCY
SCHEMBL11054046 0.83 SMN1; SMN2 (0.60) ADORA2AADORA2BSMN1; SMN2NPEPPSTP53
SCHEMBL10896379 0.83 AHCY (0.54) AHCYSMN1; SMN2NPEPPSTP53CYP3A4

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
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