SCHEMBL9056520

SCHEMBL9056520

O=C(O)c1cc(O)c(O)c(OS(=O)(=O)c2cccc3cccnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.49
METAP2 P50579 2/20 0.47
METAP1 P53582 2/20 0.47
MAPK1 P28482 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ALOX12 P18054 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 3/20 0.44
FABP1 P07148 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MMP2 P08253 1/20 0.42
LMNA P02545 2/20 0.42
SLC16A3 O15427 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL9062967 0.77 ENPP2 (0.44) ENPP2METAP2METAP1MAPK1CA1
SCHEMBL9057549 0.75 PTGS2 (0.45) MAPK1CA1CA2CA9KDM4E
SCHEMBL9056928 0.75 MEN1 (0.54) MAPK1CA1CA2CA9HTT
SCHEMBL9054225 0.74 PTGS2 (0.59) MAPK1CA1CA2CA9HTT
SCHEMBL9054334 0.73 PTGS2 (0.51) ENPP2METAP2METAP1MAPK1CA1
SCHEMBL9053580 0.72 ALKBH2 (0.43) MAPK1CA1CA2CA9KDM4E
SCHEMBL9052370 0.72 PTGS2 (0.42) MAPK1CA1CA2CA9HTT
SCHEMBL9058253 0.72 HPGD (0.49) CA1CA2GAAALDH1A1MMP2
SCHEMBL9058254 0.72 HPGD (0.49) CA1CA2GAAALDH1A1MMP2
SCHEMBL9052969 0.72 CA1 (0.48) MAPK1CA1CA2CA9TSHR

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
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed