SCHEMBL28102167

SCHEMBL28102167

CC(=CC=O)n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE4B Q07343 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL30799359 0.79 ALDH1A1 (0.38) ATMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL28128640 0.77
SCHEMBL28452970 0.72 FAAH (0.35) ATMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL1371556 0.71
SCHEMBL28070758 0.69 ALDH1A1 (0.37) ATMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL9584008 0.67 FAAH (0.51) ATMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL19068319 0.67 FAAH (0.36) ATMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL28219865 0.67
SCHEMBL83387 0.66 MGLL (0.50) LMNAALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL7268279 0.66 ALDH1A1 (0.43) ATMLMNAALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585562-B 1- (benzofuran -5- bases) -3- aryl -2- (triazol-1-yl) propenone and its application as anticarcinogen 湖南大学 2018-09-21 CN disclosed
CN-105859696-B 1- benzofuranols ether -3- phenyl -2- (1,2,4- triazol-1-yl) -2- propenone and its application 湖南大学 2018-05-25 CN disclosed
CN-104610236-B The preparation and application of furans amphyl containing triazolyl 宁波工程学院 2017-08-04 CN disclosed
CN-104370893-B 1-(7-propoxybenzofuryl-5-yl)-3-(2-chlorophenyl)-2-(1,2,4-triazolyl-1-yl)acrylketone 湖南大学 2017-04-12 CN disclosed
CN-104387373-B 1-(7-propoxy benzofuran-5-group)-3-(2-methoxyl phenyl)-2-(1,2,4-triazole-1- group)acrylketone 湖南大学 2017-02-15 CN disclosed
CN-104496973-B Benzofuranol propenone derivatives is as the application of insecticide 邵阳学院 2016-11-30 CN disclosed