SCHEMBL9326609

SCHEMBL9326609

CCOc1ccc(Nc2c(NC(C)(C)C)c(=O)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
NSD2 O96028 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
SLC2A1 P11166 1/20 0.46
HDAC1 Q13547 1/20 0.44

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
SCHEMBL11638536 0.80 NQO1 (0.61) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL19808351 0.75 PLK1 (0.60) MAPK1PLK1ROCK2CHEK2GSK3A
SCHEMBL9514574 0.74 NQO1 (0.70) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL49554 0.74 NQO1 (0.70) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL7598100 0.70 GAA (0.49) MAPTPOLB
SCHEMBL8870928 0.70 POLB (0.60) MAPTL3MBTL1LMNAADAMTS5POLB
SCHEMBL8725864 0.68 NQO1 (0.54) KDM4EMAPTALDH1A1L3MBTL1HPGD
SCHEMBL18826799 0.68 NQO1 (0.54) KDM4EMAPTALDH1A1L3MBTL1LMNA
SCHEMBL19019509 0.68 KMT2A (0.49) KDM4EMAPTALDH1A1L3MBTL1HPGD
SCHEMBL9620305 0.68 KDM4E (0.52) KDM4EMAPTALDH1A1L3MBTL1HPGD

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
JP-6092915-A None JP disclosed
JP-H0692915-A 1,2-DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVE AND ITS USE SUMITOMO METAL IND LTD 1994-04-05 JP disclosed