SCHEMBL2800636

SCHEMBL2800636

COc1cccc(C=NNc2nc3ccccc3nc2Cl)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.68
KDM4E B2RXH2 9/20 0.68
HTT P42858 8/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
KLF5 Q13887 3/20 0.68
PKM P14618 3/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
RAB9A P51151 6/20 0.63
LMNA P02545 4/20 0.63
KMT2A Q03164 8/20 0.62
NPC1 O15118 6/20 0.62
POLB P06746 4/20 0.62
ALDH1A1 P00352 3/20 0.62
RECQL P46063 2/20 0.62
TNNI3 P19429 1/20 0.62
TNNT2 P45379 1/20 0.62

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
SCHEMBL2802250 0.80 KMT2A (0.64) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL29548856 0.80 MAPT (0.68) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6714010 0.73 MAPT (0.67) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL19936663 0.72 MAPT (0.70) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6419561 0.72 MAPT (0.53) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6417904 0.71 MAPT (0.53) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6417899 0.71 MAPT (0.53) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6431957 0.70 MAPT (0.52) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6413690 0.70 MAPT (0.51) MAPTKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL5804271 0.69 MAPT (0.69) MAPTKDM4EHTTSMN1; SMN2L3MBTL1

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-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US claimed
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed