SCHEMBL8780598

SCHEMBL8780598

CCN(CC)c1ccc(C=C2CN(c3ccccc3)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.51
▸ NOX4 Q9NPH5 1/20 0.51
▸ ALDH1A1 P00352 12/20 0.50
▸ BCHE P06276 2/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ KMT2A Q03164 10/20 0.47
▸ MEN1 O00255 9/20 0.47
▸ MAPT P10636 8/20 0.47
▸ LMNA P02545 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ RECQL P46063 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8780591 0.82 ALDH1A1 (0.66) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL2203150 0.82 ACHE (0.57) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL2203151 0.82 ACHE (0.57) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL22550922 0.81 CYP1A2 (0.60) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL8377306 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL22529619 0.80 KMT2A (0.54) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL22529620 0.80 KMT2A (0.54) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL22550815 0.80 KMT2A (0.54) ALDH1A1BCHEPTGS2KMT2AMEN1
SCHEMBL8376245 0.80 CARM1 (0.57) CYBBNOX4ALDH1A1BCHEPTGS2
SCHEMBL8780597 0.80 ALDH1A1 (0.54) CYBBNOX4ALDH1A1KMT2AMEN1

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
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 — — EP disclosed
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