SCHEMBL3152146

SCHEMBL3152146

CCN(CC)c1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
GAA P10253 2/20 0.76
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3157213 0.86 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6720188 0.84 MEN1 (0.81) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL3162482 0.81 MEN1 (0.76) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL11313942 0.80 LMNA (0.81) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL18084405 0.77 LMNA (0.71) ALDH1A1GAAMEN1KMT2APOLB
Ampyrone SCHEMBL10870386 0.77 BCHE (0.73) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL3144217 0.77 MEN1 (0.69) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL11394636 0.76 GAA (0.68) ALDH1A1GAAKMT2AL3MBTL1MAPT
SCHEMBL6721026 0.75 GAA (0.77) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL11872809 0.74 ALOX15 (0.69) ALDH1A1GAAPOLBLMNAADORA3

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
EP-1437122-B1 Composition for dyeing keratinic fibers comprising diheteroarylmethane direct dye and dyeing process using this composition OREAL (FR) 2010-03-03 EP claimed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed