SCHEMBL5386447

SCHEMBL5386447

Nc1nc(C=O)nc2nc(C=O)[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.31

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
SCHEMBL1901594 0.70 PNP (0.68) PNP
SCHEMBL27987389 0.69 PDPK1 (0.59) PNP
SCHEMBL11280522 0.58 ADORA2A (0.33)
SCHEMBL8461698 0.58 CCR1 (0.32)
SCHEMBL9418468 0.58 POLB (0.35)
SCHEMBL27594914 0.56 CCR1 (0.30)
SCHEMBL6577452 0.56 ADORA2A (0.37)
SCHEMBL3396382 0.55 PNP (0.52) PNP
Hydrochloric Acid SCHEMBL28682590 0.53
SCHEMBL10797959 0.53 MEN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7306950-B2 Competitive binding with enzyme involved in metabolism of homoocysteine; permeability of erythrocyte membrane; enzyme inhibitor HEINRICH WIELAND (DE) 2007-12-11 US claimed