SCHEMBL8915086

SCHEMBL8915086

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
NT5E P21589 13/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL6305933 0.80
SCHEMBL746752 0.78 LMNA (0.38) LMNATP53NT5EALDH1A1MAPT
SCHEMBL4948918 0.77 LMNA (0.43) LMNATP53NT5EALDH1A1MAPT
SCHEMBL7023924 0.77 ADK (0.33) LMNAADORA2AADORA3
SCHEMBL9237423 0.76 ABL1 (0.31) ALDH1A1
SCHEMBL7658873 0.74 LMNA (0.42) LMNATP53NT5EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11628085 0.72 PDE3A (0.40) LMNANT5EMAPT
SCHEMBL10768991 0.72
SCHEMBL10576397 0.71 TLR7 (0.34)
SCHEMBL7743678 0.70 ALDH1A1 (0.47) ALDH1A1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 EP disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed