SCHEMBL16285333

SCHEMBL16285333

CN1c2cc(N3CCCC3)ccc2Nc2ccc(N3CCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 7/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 4/20 0.47
S100B P04271 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL11886393 0.76 MAPT (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL5724663 0.75 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL12635090 0.73 MAPT (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL15909170 0.73 SNCA (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL24445598 0.72 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL12449201 0.70 NOX1 (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3899878 0.67 MEN1 (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2174173 0.66 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL19381143 0.66 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6283250 0.66 CASP3 (0.57) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9529261-B2 Color-forming composition, color-forming curable composition, lithographic printing plate precursor and plate making method, and color-forming compound FUJIFILM CORPORATION (JP) 2016-12-27 US disclosed
US-9529261-B2 Color-forming composition, color-forming curable composition, lithographic printing plate precursor and plate making method, and color-forming compound FUJIFILM CORPORATION (JP) 2016-12-27 US disclosed
US-20140360395-A1 COLOR-FORMING COMPOSITION, COLOR-FORMING CURABLE COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD, AND COLOR-FORMING COMPOUND FUJIFILM CORPORATION (JP) 2014-12-11 US disclosed