SCHEMBL5612970

SCHEMBL5612970

Nc1nc[nH]c2nc(=O)cnc1-2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PNP P00491 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PDPK1 O15530 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL5612935 0.71 GDA (0.34) GDAPNPPDPK1KDM4EGLA
Adenine SCHEMBL5543734 0.70 PI4KA (0.42) GDAALDH1A1PDPK1KDM4E
SCHEMBL21121885 0.69 GDA (0.34) GDAPDPK1
SCHEMBL8720043 0.67 KDM4E (0.43) ALDH1A1KDM4EGLAGAA
SCHEMBL5516559 0.65 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL4455591 0.60
SCHEMBL6098036 0.59 GDA (0.36) GDAKDM4EGLAGAA
SCHEMBL7697033 0.58 HSD17B10 (0.37) ALDH1A1RXFP1KDM4E
SCHEMBL9437096 0.58 PI4KA (0.34) GDA
SCHEMBL5173516 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238096-A1 Hybrid energy transfer for nucleic acid detection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-10-11 US claimed
WO-2007103558-A2 HYBRID ENERGY TRANSFER FOR NUCLEIC ACID DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-13 WO claimed
US-20070238096-A1 Hybrid energy transfer for nucleic acid detection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-10-11 US disclosed
WO-2007103558-A2 HYBRID ENERGY TRANSFER FOR NUCLEIC ACID DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-13 WO disclosed