SCHEMBL10886589

SCHEMBL10886589

C[C@H](N)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.67
TMEM97 Q5BJF2 2/20 0.67
HIF1A Q16665 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
ADORA3 P0DMS8 6/20 0.62
ADORA2B P29275 5/20 0.62
HSP90B1 P14625 3/20 0.60
ADORA2A P29274 3/20 0.60
TSHR P16473 2/20 0.60
ADORA1 P30542 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
HSP90AA1 P07900 1/20 0.60
RXFP1 Q9HBX9 1/20 0.57
HRH1 P35367 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL10886080 0.86 AHCY (0.62) AHCYTMEM97HIF1ASIGMAR1ADORA3
SCHEMBL16312111 0.86 ADORA3 (0.64) HIF1AADORA3ADORA2BADORA2AADORA1
SCHEMBL10888062 0.85 AHCY (0.63) AHCYTMEM97HIF1ASIGMAR1ADORA3
SCHEMBL11203369 0.85 NPEPPS (0.64) AHCYTMEM97HIF1ASIGMAR1ADORA2B
SCHEMBL10885338 0.85 NNMT (0.60) AHCYTMEM97HIF1ASIGMAR1ADORA3
SCHEMBL10883740 0.85 NPEPPS (0.64) AHCYTMEM97HIF1ASIGMAR1ADORA2B
SCHEMBL10889028 0.85 NPEPPS (0.64) AHCYTMEM97HIF1ASIGMAR1ADORA2B
SCHEMBL10884983 0.84 DOT1L (0.59) AHCYTMEM97HIF1ASIGMAR1ADORA3
SCHEMBL11204220 0.83 DOT1L (0.58) AHCYTMEM97HIF1ASIGMAR1ADORA3
SCHEMBL10885975 0.83 DOT1L (0.58) AHCYTMEM97HIF1ASIGMAR1ADORA3

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