SCHEMBL8326734

SCHEMBL8326734

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
MAPT P10636 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
ADORA3 P0DMS8 7/20 0.53
NT5E P21589 7/20 0.52
ACHE P22303 2/20 0.52
ADORA2A P29274 6/20 0.51
ADORA1 P30542 5/20 0.51
ADORA2B P29275 3/20 0.49

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
SCHEMBL6320944 0.91 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6320952 0.91 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6320949 0.91 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4371662 0.90 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4371767 0.90 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL24601162 0.90 ALDH1A1 (0.70) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406154 0.89 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406159 0.89 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406147 0.89 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8327419 0.89 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
WO-1996002553-A2 AMINO PURINE-β-D-RIBOFURANURONAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-02-01 WO disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed
EP-0139358-B1 N6-SUBSTITUTED DIARYLALKYL ADENOSINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WARNER-LAMBERT COMPANY (US) 1988-11-09 EP disclosed
EP-0251339-A2 N6- substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1988-01-07 EP disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 EP disclosed