SCHEMBL5495887

SCHEMBL5495887

CCCCCCN1c2ccccc2Nc2c(N(CC)CC)cccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.40
CES1 P23141 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
FAAH O00519 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL7164942 0.74 GAA (0.46) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL7169580 0.73 ALDH1A1 (0.41) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL30141987 0.72 CDC25A (0.61) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL3635173 0.72 CDC25A (0.61) CDC25ACES1MEN1KMT2AALDH1A1
Fluoride SCHEMBL4299936 0.70 MEN1 (0.35) MEN1KMT2AALDH1A1CNR2
SCHEMBL81073 0.70 ALDH1A1 (0.40) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL15644072 0.70 ALDH1A1 (0.59) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL5501861 0.70 KCNH2 (0.39) ALDH1A1
SCHEMBL7450815 0.67 CDC25A (0.56) CDC25ACES1MEN1KMT2AALDH1A1
SCHEMBL11551728 0.66 CDC25A (0.48) CDC25ACES1ALDH1A1ALDH2ALDH3A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101142525-A Pattern formation material, pattern formation device, and pattern formation method FUJI FILM CORP (JP) 2008-03-12 CN disclosed
CN-101124516-A Pattern forming material, pattern forming apparatus, and pattern forming method FUJI FILM CORP (JP) 2008-02-13 CN disclosed
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed