SCHEMBL9260790

SCHEMBL9260790

O=C(Nc1ccccn1)C1=COc2cc(O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 11/20 0.47
RAB9A P51151 11/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
PKM P14618 4/20 0.47
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
TP53 P04637 1/20 0.43
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL9259716 0.76 LCK (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL9259818 0.76 KDR (0.53) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7817781 0.71 CA12 (0.37) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL27792368 0.71 KCNMA1 (0.74) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL2269809 0.71 NPC1 (0.69) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL9255027 0.70 CA12 (0.45) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5011704 0.70 RAB9A (0.86) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9260067 0.69 ALDH1A1 (0.47) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL11729468 0.69 NPC1 (0.58) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL9257855 0.68 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1PKM

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