SCHEMBL8780591

SCHEMBL8780591

CCN(CC)c1ccc(C=C2CN(Cc3ccccc3)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
MAPK1 P28482 3/20 0.66
LMNA P02545 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 2/20 0.66
ACHE P22303 8/20 0.63
BCHE P06276 2/20 0.63
PTGS2 P35354 2/20 0.61
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
CARM1 Q86X55 4/20 0.56
PAX8 Q06710 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
P4HB P07237 1/20 0.56
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL8376245 0.88 CARM1 (0.57) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL8372680 0.87 MAPT (0.69) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL15562489 0.84 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL15562491 0.84 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL16769905 0.84 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL8377306 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL19629172 0.84 ACHE (0.74) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL16769883 0.83 ACHE (0.78) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL16755540 0.83 ACHE (0.78) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL16755537 0.83 ACHE (0.78) ALDH1A1MAPTMAPK1LMNAKMT2A

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
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 EP disclosed
EP-0551697-A1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO., LTD. (JP) 1993-07-21 EP disclosed