SCHEMBL2836351

SCHEMBL2836351

CCN(CC)c1ccc(C=CC(=O)C2COc3c2cccc3N(CC)CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 2/20 0.47
TLR9 Q9NR96 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CNR2 P34972 1/20 0.40
FGFR1 P11362 1/20 0.39

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
SCHEMBL2834422 0.94 ACHE (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2835670 0.93 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2835472 0.93 NPC1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2834091 0.86 HDAC3 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2831495 0.86 HPGD (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2835552 0.78 HTR1A (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2830167 0.78 MEN1 (0.35) MEN1KMT2ARAB9AUSP2NPSR1
SCHEMBL11401111 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11401114 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2838798 0.72 GAA (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E

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-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed