SCHEMBL11469832

SCHEMBL11469832

COc1ccc(/C=C/C(=O)N2CCNCC2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
ALDH1A1 P00352 4/20 0.80
KMT2A Q03164 3/20 0.80
L3MBTL1 Q9Y468 1/20 0.76
TDP1 Q9NUW8 1/20 0.71
TRPV1 Q8NER1 3/20 0.63
BCHE P06276 3/20 0.62
MAOA P21397 3/20 0.62
ACHE P22303 3/20 0.62
MAOB P27338 3/20 0.62
MEN1 O00255 2/20 0.61
APP P05067 3/20 0.60
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NFE2L2 Q16236 1/20 0.57

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
SCHEMBL11469833 1.00 KDM4E (0.80) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28632999 0.90 KDM4E (0.66) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28637135 0.90 KDM4E (0.66) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL11344094 0.90 TRPV1 (0.79) KDM4EALDH1A1KMT2ATRPV1BCHE
SCHEMBL3121290 0.88 KDM4E (0.97) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL3121297 0.88 KDM4E (0.97) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28652743 0.87 KDM4E (0.62) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL29967007 0.86 KDM4E (0.61) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28644016 0.86 KDM4E (0.61) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28924931 0.85 APP (0.84) KDM4EALDH1A1KMT2AMEN1APP

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-4189484-A Antihypertensive quinazoline derivatives MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1980-02-19 US disclosed