SCHEMBL178489

SCHEMBL178489

Nc1cc(N)cc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8462178 0.94 CYP19A1 (0.40) CYP19A1ALDH1A1CYP2A6KDM4EPTGS2
SCHEMBL29951267 0.82 CYP3A4 (0.55) CYP19A1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6009914 0.82 ALDH1A1 (0.57) CYP19A1ALDH1A1CYP2A6KDM4ETSHR
SCHEMBL29957103 0.82 ERN1 (0.34) CYP19A1ALDH1A1
SCHEMBL19234310 0.82 ALDH1A1 (0.46) CYP19A1ALDH1A1
SCHEMBL29958069 0.82 ALDH1A1 (0.57) CYP19A1ALDH1A1CYP2A6KDM4ETSHR
SCHEMBL29951100 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL20320056 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL15618821 0.82 CYP3A4 (0.55) CYP19A1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL25897376 0.82 ERN1 (0.34) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163997-B2 Polyether derivative and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2007-01-16 US claimed
US-6887534-B2 Liquid crystal aligning agent, method of forming a liquid crystal alignment film and liquid crystal display element JSR CORPORATION (JP) 2005-05-03 US claimed
US-20040087760-A1 (di)aminoaroyl- or (di)aminoarylsulfonyl- endcapped polyalkylene oxide prepared by reacting the polyalkylene oxide with a (di)nitroaryl-carbonyl chloride or -sulfonyl chloride and reducing the product FUJI PHOTO FILM CO., LTD. 2004-05-06 US claimed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US claimed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US claimed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 WO claimed
CN-117482763-A Polyamide composite membrane with near-electric neutral surface and preparation method and application thereof 天津工业大学 2024-02-02 CN disclosed
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
CN-107011924-B Photoalignment materials with side substitution 罗利克有限公司 2021-06-01 CN disclosed
WO-2021060268-A1 LIQUID CRYSTAL ALIGNING AGENT FOR VERTICAL ALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2021-04-01 WO disclosed
CN-109824679-A A kind of preparation method of substituted aryl porphyrin 中国科学院长春应用化学研究所 2019-05-31 CN disclosed
CN-109473684-A The elctro-catalyst and preparation method of a kind of sulphur-nitrogen-carbon-based oxygen reduction of transition metal codope and application 中国科学院山西煤炭化学研究所 2019-03-15 CN disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed
WO-2002020527-A1 SOLUBLE COMPOUNDS FOR THE INHIBITION OF MULTIDRUG RESISTANCE AND PHARMACEUTICAL COMPOSITIONS THEREOF SOLVO BIOTECHNOLOGY INC. (HU) 2002-03-14 WO disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 WO disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed