SCHEMBL9257855

SCHEMBL9257855

O=C(C1=COc2cc(O)ccc2O1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A7 Q99884 4/20 0.45
MGLL Q99685 1/20 0.44
TSHR P16473 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
SCHEMBL9256417 0.77 CA12 (0.43) KDM4EALDH1A1L3MBTL1MGLL
SCHEMBL9254577 0.76 SMN1; SMN2 (0.51) KDM4EALDH1A1HSD17B10PKML3MBTL1
SCHEMBL9261899 0.76 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9257657 0.76 HPGD (0.47) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9263933 0.76 MEN1 (0.48) KDM4EALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL9253329 0.75 SCD5 (0.46) ALDH1A1L3MBTL1KMT2AMGLL
SCHEMBL9261873 0.75 MEN1 (0.53) ALDH1A1MEN1KMT2A
SCHEMBL9254614 0.73 MGLL (0.43) ALDH1A1KMT2AMGLL
SCHEMBL9253316 0.73 LTB4R (0.56) CYP2C19MGLL
SCHEMBL9257252 0.70 GRM5 (0.36) ALDH1A1MGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed