SCHEMBL909296

SCHEMBL909296

O=[N+]([O-])c1[c]c(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 2/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
ESPL1 Q14674 1/20 0.38
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VCAM1 P19320 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GLA P06280 1/20 0.36
ACHE P22303 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL909638 0.87 TSHR (0.52) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL18479 0.84 CYP19A1 (0.52) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL28723924 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4LMNATDP1
SCHEMBL11750501 0.81 ERN1 (0.34) CYP19A1ALDH1A1CYP3A4
SCHEMBL7274798 0.79 TSHR (0.50) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL15526428 0.79 TSHR (0.50) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL909497 0.78 ALDH1A1 (0.47) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL18230298 0.78 ALDH1A1 (0.42) TSHRALDH1A1TDP1VCAM1HSD17B10
SCHEMBL11316254 0.75 ALDH1A1 (0.45) TSHRCYP19A1ALDH1A1CYP3A4HTT
SCHEMBL908704 0.75 ALDH1A1 (0.48) TSHRCYP19A1ALDH1A1CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305500-B Dye composition, disperse dye product containing dye composition and application of disperse dye product 杭州吉华江东化工有限公司 2021-03-19 CN claimed
CN-112442283-A Azo type disperse dye compound suitable for dyeing in acid-alkaline bath, preparation method, composition and application thereof 浙江闰土股份有限公司 2021-03-05 CN claimed
CN-106278447-A A kind of landscape flower compound organic fertilizer pulverizes drying system and method for work thereof 徐州工程学院 2017-01-04 CN claimed
CN-106000270-A Special reaction device for curing agent for repair of soil heavy metal pollution and production method thereof 徐州工程学院 2016-10-12 CN claimed
US-5550218-A DISPERSE DYES FOR DYEING OR PRINTING TEXTILE MATERIALS MADES OF NATURAL, SYNTHETIC OR SEMI-SYNTHETIC HYDROPHOBIC ORGANIC MATERIALS SANDOZ LTD. (CH) 1996-08-27 US claimed
US-5420254-A Monoazo dyes for textiles such as cellulose or polyesters SANDOZ LTD. (CH) 1995-05-30 US claimed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 US claimed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
CN-112442283-B Azo type disperse dye compound suitable for dyeing in acid-alkaline bath, preparation method, composition and application thereof 浙江闰土股份有限公司 2022-05-27 CN disclosed
CN-112442283-B Azo type disperse dye compound suitable for dyeing in acid-alkaline bath, preparation method, composition and application thereof 浙江闰土股份有限公司 2022-05-27 CN disclosed
CN-112442283-A Azo type disperse dye compound suitable for dyeing in acid-alkaline bath, preparation method, composition and application thereof 浙江闰土股份有限公司 2021-03-05 CN disclosed
CN-106160551-B A kind of wind power generation inversion device and its method of work based on DSP 江苏建筑职业技术学院 2018-05-22 CN disclosed
CN-106278447-A A kind of landscape flower compound organic fertilizer pulverizes drying system and method for work thereof 徐州工程学院 2017-01-04 CN disclosed
CN-106152356-A A kind of band solar panels movable indoor intellectuality humidifier robot control system(RCS) and method of work thereof 徐州工程学院 2016-11-23 CN disclosed
EP-0017769-A1 Dyestuffs of the thiazole series and their use BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed
US-4218372-A Azo compounds having a β-alkynyloxy carbonylalkyl group on the coupling component radical SANDOZ LTD. (CH) 1980-08-19 US disclosed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 US disclosed
US-4087420-A DYEING AND PRINTING OF HYDROPHOBIC SYNTHETIC FIBERS AND FILMS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-05-02 US disclosed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed