SCHEMBL8350696

SCHEMBL8350696

O=C(NCCN=Cc1ccccc1O)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.60
CA2 P00918 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CA9 Q16790 5/20 0.57
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NAAA Q02083 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8349727 0.99 KDM4E (0.58) CA12CA2KDM4EHPGDHSD17B10
SCHEMBL8345464 0.82 MAPT (0.61) CA12KDM4EHPGDMEN1KMT2A
SCHEMBL8349880 0.82 CA2 (0.49) CA12CA2HPGDMEN1CYP3A4
SCHEMBL5707054 0.79 HTT (0.69) KDM4EHPGDHSD17B10MEN1TP53
SCHEMBL31119120 0.79 HTT (0.69) KDM4EHPGDHSD17B10MEN1TP53
SCHEMBL31119121 0.79 HTT (0.69) KDM4EHPGDHSD17B10MEN1TP53
SCHEMBL19209979 0.77 CA12 (0.78) CA12CA2KDM4EHPGDHSD17B10
SCHEMBL16221721 0.77 CA12 (0.78) CA12CA2KDM4EHPGDHSD17B10
SCHEMBL5350861 0.77 CA12 (0.78) CA12CA2KDM4EHPGDHSD17B10
SCHEMBL12996009 0.77 CA12 (0.78) CA12CA2KDM4EHPGDHSD17B10

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
US-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed
EP-0889050-A2 Metal complexes as bleach activators Clariant GmbH (DE) 1999-01-07 EP disclosed