SCHEMBL6423922

SCHEMBL6423922

CC(=O)N(Cl)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 6/20 0.62
L3MBTL1 Q9Y468 5/20 0.62
MAPK1 P28482 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
EGFR P00533 2/20 0.62
LMNA P02545 2/20 0.62
NSD2 O96028 1/20 0.62
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PABPC1 P11940 3/20 0.54
MAOA P21397 2/20 0.51
KDM4E B2RXH2 3/20 0.50
KEAP1 Q14145 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 2/20 0.45
ADORA2A P29274 1/20 0.44
PTK2B Q14289 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 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
SCHEMBL14151424 0.95 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL1304037 0.93 MAPT (0.51) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL6366049 0.90 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL13560308 0.84 MAPT (0.47) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL13560277 0.83 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL9359548 0.83 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL10697044 0.83 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL7170509 0.79 L3MBTL1 (0.70) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL6366586 0.77 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1MAPK1TDP1
SCHEMBL187706 0.77 L3MBTL1 (1.00) ALDH1A1MAPTL3MBTL1MAPK1TDP1

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-20050011012-A1 Multifunctional antimicrobial dyes REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-20 US disclosed
WO-2004083336-A2 MULTIFUNCTIONAL ANTIMICROBIAL DYES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-09-30 WO disclosed