SCHEMBL28070758

SCHEMBL28070758

CC=C(C=O)n1cncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 4/20 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 0.36
MGLL Q99685 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 3/20 0.35
EGLN3 Q9H6Z9 1/20 0.33
PDE4B Q07343 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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 0.68 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL83387 0.67 MGLL (0.50) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL7268279 0.67 ALDH1A1 (0.43) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL13114303 0.64 RAB9A (0.47) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL5272555 0.62 ALDH1A1 (0.35) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL1072036 0.62 ALDH1A1 (0.35) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL11241299 0.62
SCHEMBL14884967 0.62
SCHEMBL10426186 0.62 FAAH (0.39) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL10947534 0.62 RAB9A (0.36) ALDH1A1GAALMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496973-B Benzofuranol propenone derivatives is as the application of insecticide 邵阳学院 2016-11-30 CN claimed
CN-105585562-A 1-(benzofuran-5-yl)-3-aryl-2-(triazol-1-yl)-propenone and application thereof as anticancer drug UNIV HUNAN 2016-05-18 CN claimed
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
CN-105585562-A 1-(benzofuran-5-yl)-3-aryl-2-(triazol-1-yl)-propenone and application thereof as anticancer drug UNIV HUNAN 2016-05-18 CN disclosed