SCHEMBL9300167

SCHEMBL9300167

Cc1cccc(N(CCO)CCC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 4/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GPX4 P36969 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL8926268 0.92 GFER (0.43) GFERALDH1A1KMT2AMEN1KDM4E
SCHEMBL632177 0.87 MAPT (0.44) GFERALDH1A1KMT2AMEN1RAB9A
SCHEMBL29431930 0.87 MAPT (0.44) GFERALDH1A1KMT2AMEN1RAB9A
SCHEMBL14606671 0.86 GFER (0.43) GFERALDH1A1KMT2AMEN1KDM4E
SCHEMBL6889131 0.84 GFER (0.52) GFERALDH1A1KMT2AMEN1KDM4E
SCHEMBL9655660 0.84 CRHR1 (0.42) GFERALDH1A1KMT2AMEN1KDM4E
SCHEMBL11519087 0.82 HRH3 (0.42) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL11518453 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1KDM4ETHRB
SCHEMBL11331575 0.81 MEN1 (0.40) GFERALDH1A1KMT2AMEN1KDM4E
SCHEMBL11033729 0.81 ALDH1A1 (0.49) GFERALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105860570-A Halogenated benzothiazole-azo disperse dye monomer compounds, and preparation method and application thereof 俞杏英 2016-08-17 CN claimed
CN-112457682-B Disperse dye ink for digital ink-jet printing and preparation method and application thereof 浙江理工大学上虞工业技术研究院有限公司 2022-04-08 CN disclosed
CN-112457682-A Disperse dye ink for digital ink-jet printing and preparation method and application thereof 浙江理工大学上虞工业技术研究院有限公司 2021-03-09 CN disclosed
CN-105481623-B A kind of synthesis technique of hydroxyethylaniline carboxylate (III) 上海澄厚菲贸易有限公司 2017-10-27 CN disclosed
CN-105860570-A Halogenated benzothiazole-azo disperse dye monomer compounds, and preparation method and application thereof 俞杏英 2016-08-17 CN disclosed
US-5278034-A Color development agent FUJI PHOTO FILM CO., LTD. (JP) 1994-01-11 US disclosed
US-4503145-A DIAGNOSIS OF LIVER DISORDERS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-05 US disclosed
US-4478942-A CATIONIC DYE BOUND TO ANIONIC POLYMER FOR ASSAY OF HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 US disclosed
US-4418037-A PYROGALLOL DERIVATIVE STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1983-11-29 US disclosed
US-4394314-A Process of preparing aromatic aldehydes by reacting selected aromatic compounds with formamidine acetate and an organic acid anhydride E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-19 US disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4217102-A Polyamides dyed with rubine disazo acid dyes and process therefore Toms River Chemical Company (US) 1980-08-12 US disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4173565-A Rubine disazo acid dyes for polyamides TOMS RIVER CHEMICAL CORPORATION (US) 1979-11-06 US disclosed
US-4147716-A Preparation of N-substituted carbamates BASF WYANDOTTE CORPORATION (US) 1979-04-03 US disclosed
US-4053465-A CYANOPHENYL-AZO-AMINOPHENYL DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed