SCHEMBL8780603

SCHEMBL8780603

CCN(CC)c1ccc(C=C2CN(C)CC(=Cc3ccc(N(CC)CC)cc3Cl)C2=O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
PTGS2 P35354 3/20 0.49
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9633148 0.86 PTGS2 (0.50) ACHEPTGS2NFE2L2MEN1KMT2A
SCHEMBL9633072 0.82 ALDH1A1 (0.58) ACHEPTGS2NFE2L2MEN1KMT2A
SCHEMBL2203151 0.78 ACHE (0.57) ACHEPTGS2MEN1KMT2AALDH1A1
SCHEMBL2203150 0.78 ACHE (0.57) ACHEPTGS2MEN1KMT2AALDH1A1
SCHEMBL9633176 0.74 ALDH1A1 (0.42) ACHEPTGS2MEN1KMT2AALDH1A1
SCHEMBL1632310 0.74 MAPK1 (0.48) ACHEPTGS2NFE2L2MEN1KMT2A
SCHEMBL11608745 0.73 DYRK2 (0.63) ACHEPTGS2NFE2L2MAPTMAPK1
SCHEMBL21232790 0.73 DYRK2 (0.63) ACHEPTGS2NFE2L2MAPTMAPK1
SCHEMBL11608742 0.73 DYRK2 (0.63) ACHEPTGS2NFE2L2MAPTMAPK1
SCHEMBL9733725 0.73 ALDH1A1 (0.66) ACHEMEN1KMT2AALDH1A1L3MBTL1

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