SCHEMBL4890432

SCHEMBL4890432

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2c(=O)[nH]c(=S)c3[nH]ccc32)[C@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL794862 0.78 P2RY2 (0.31) ALDH1A1POLBMAPT
SCHEMBL9221120 0.74 NT5E (0.36) POLB
SCHEMBL6256517 0.74 NT5E (0.36) POLB
SCHEMBL10576885 0.73 TLR7 (0.40)
SCHEMBL9223581 0.72 RNASE1 (0.44) ALDH1A1POLB
SCHEMBL5080723 0.72 LMNA (0.36) MAPT
SCHEMBL9766213 0.71 TLR7 (0.43)
SCHEMBL11390388 0.71 CDA (0.38)
SCHEMBL5610629 0.70 RNASE1 (0.32)
SCHEMBL10579570 0.70 ALDH1A1 (0.35) ALDH1A1

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
JP-2008522968-A 2008-07-03 JP claimed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 EP claimed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 WO claimed