SCHEMBL863304

SCHEMBL863304

CCN(CC)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(CO)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ MAPT P10636 7/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ USP2 O75604 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ ALDH3A1 P30838 1/20 0.46
▸ ALDH1A3 P47895 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46

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
SCHEMBL4765054 0.91 TSHR (0.46) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL4765051 0.91 TSHR (0.46) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL4244889 0.89 RELA (0.48) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL14602215 0.89 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL19313179 0.83 HDAC8 (0.44) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL15102329 0.83 HDAC8 (0.44) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL14173988 0.83 HDAC8 (0.44) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL13903231 0.82 TRPA1 (0.56) ALDH1A1MAPTBCHEACHECYP3A4
SCHEMBL21594497 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL4243407 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1TDP1

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-20120073661-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-03-29 — — US disclosed
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