SCHEMBL9130398

SCHEMBL9130398

Oc1ccc(N=Nc2cccc(-c3ccccc3)c2N=Nc2ccc(O)c(O)c2O)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
HNF4A P41235 1/20 0.37

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
Benzene SCHEMBL27584795 0.80 MAPT (0.57) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL28110778 0.80 CASP3 (0.50) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL593470 0.80 MAPT (0.57) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL9130394 0.79 MEN1 (0.48) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL28126627 0.76 CASP3 (0.63) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL11800176 0.72 MEN1 (0.57) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL8208902 0.72 MAPT (0.47) CASP3SENP8SENP7SENP6NPC1
SCHEMBL29985581 0.71 ALDH1A1 (0.47) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL11693605 0.71 MAPT (0.40) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL27737328 0.70 MEN1 (0.47) CASP3SENP8SENP7SENP6HSD17B10

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-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed