SCHEMBL9184752

SCHEMBL9184752

CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3OC)OC(=O)c3ncccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 3/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GHSR Q92847 2/20 0.34
GFER P55789 3/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL9182188 0.95 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9184770 0.94 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP3A4GHSRGFER
SCHEMBL9185575 0.92 CYP3A4 (0.35) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9178156 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9183497 0.86 ALDH1A1 (0.37) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9182245 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL213721 0.85 CYP3A4 (0.40) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL29735596 0.85 CYP3A4 (0.40) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9185141 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A
SCHEMBL9185746 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP3A4HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed