SCHEMBL6548972

SCHEMBL6548972

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MMP13 P45452 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
PABPC1 P11940 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
PTPN1 P18031 1/20 0.39
ACP1 P24666 1/20 0.39
TBXAS1 P24557 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6797064 0.91 GAA (0.43) GAASMN1; SMN2ALDH1A1
SCHEMBL6550804 0.89 LMNA (0.48) GAAMMP13SMN1; SMN2MAPK1LMNA
SCHEMBL6800743 0.89 LMNA (0.48) GAAMMP13SMN1; SMN2MAPK1LMNA
SCHEMBL6796275 0.86 KMT2A (0.47) GAAKMT2ATP53SMN1; SMN2HPGD
SCHEMBL7113849 0.84 PNP (0.43) MMP13MEN1KMT2ATP53PABPC1
SCHEMBL7113168 0.84 PNP (0.43) MMP13MEN1KMT2ATP53PABPC1
SCHEMBL6550065 0.84 MMP13 (0.42) GAAMMP13SMN1; SMN2ALDH1A1
SCHEMBL6801426 0.84 MCHR1 (0.39) GAASMN1; SMN2ALDH1A1
SCHEMBL6549145 0.83 GAA (0.52) GAAMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6548067 0.83 L3MBTL1 (0.47) GAAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383766-A1 DISUBSTITUTED 1,7-GUANINES Pharmacia Italia S.p.A. (IT) 2004-01-28 EP claimed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO claimed