SCHEMBL7764387

SCHEMBL7764387

CCN(CC)N(C(C)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27865747 0.86 ALDH1A1 (0.53) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL27342484 0.83 NPSR1 (0.50) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL11408347 0.82 ALDH1A1 (0.50) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL11208721 0.82 ALDH1A1 (0.41) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL6554142 0.81 ALDH1A1 (0.32) ALDH1A1TSHRGLA
Acetic Acid SCHEMBL27442659 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL8379743 0.79 ALDH1A1 (0.41) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL9810825 0.79 TP53 (0.59) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL9408151 0.78 ALDH1A1 (0.46) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL16466613 0.78 ALDH1A1 (0.46) ALDH1A1TSHRGLAKMT2AMEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1216942-A None JP disclosed
JP-59187061-A None JP disclosed
CN-105254469-A Chloroethane clean production process and device ZHEJIANG DIBANG CHEMICAL CO LTD 2016-01-20 CN disclosed
CN-101910395-A Shading composition UNILEVER NV 2010-12-08 CN disclosed
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
EP-0842227-B1 AZOTHIOPHENES BASF AG (DE) 2000-11-15 EP disclosed
US-6022957-A DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5779781-A INK JET PRINTING; INK CONSISTS OF A MEDIUM CONTINING LOW MELTING SOLIDS, AN ORGANIC SOLVENT, A MIXTURE OF WATER AND WATER SOLUBLE ORGANIC SOLVENTS AND AN AZOTHIOPHENE DYE ZENECA LIMITED (GB) 1998-07-14 US disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
JP-S59187061-A PRODUCTION OF DISAZO DYE GOSEI SENRIYOU GIJUTSU KENKYU KUMIAI 1984-10-24 JP disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
US-4327019-A Acid azo dyes from a 3-amino-benzisothiazole-[2,1]-5-sulfonic acid diazo component BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4315857-A Process for the synthesis of azobenzene compounds having a cyano group in one or both of the ortho positions of the diazo component radical SANDOZ LTD. (CH) 1982-02-16 US disclosed
US-4242123-A 2'-CARBOALKOXY-6'-ALKYL-2-HALOACETANILIDES; PREEMERGENCE MONSANTO COMPANY (US) 1980-12-30 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-4173565-A Rubine disazo acid dyes for polyamides TOMS RIVER CHEMICAL CORPORATION (US) 1979-11-06 US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed