SCHEMBL9475769

SCHEMBL9475769

Cc1cc(C#N)c(N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 5/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
Nitrogen SCHEMBL28154834 0.97 XDH (0.40) XDHALDH1A1TSHRKDM4EUSP2
Hydrochloric Acid SCHEMBL28042811 0.97 XDH (0.40) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL6589859 0.88 KDM4E (0.41) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL20670581 0.86 XDH (0.53) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL27558711 0.86 TRPV4 (0.38) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL404723 0.84 ADRB2 (0.45) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL31392497 0.84 ADRB2 (0.44) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL29700708 0.81 XDH (0.34) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL21552347 0.81 XDH (0.34) XDHALDH1A1TSHRKDM4EUSP2
SCHEMBL20670576 0.78 KDM4E (0.43) ALDH1A1TSHRKDM4EUSP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106580-A Environment-friendly azo red dye disperse red 343 with excellent application performance and preparation method thereof 安徽清科瑞洁新材料有限公司 2022-03-01 CN claimed
CN-105462285-B A kind of synthetic method of disperse red F3BS 江苏道博化工有限公司 2017-06-27 CN claimed
CN-105462285-A Synthesis method of disperse red F3BS JIANGSU DAOBO CHEMICAL CO LTD 2016-04-06 CN claimed
CN-114106580-A Environment-friendly azo red dye disperse red 343 with excellent application performance and preparation method thereof 安徽清科瑞洁新材料有限公司 2022-03-01 CN disclosed
CN-114106580-A Environment-friendly azo red dye disperse red 343 with excellent application performance and preparation method thereof 安徽清科瑞洁新材料有限公司 2022-03-01 CN disclosed
CN-105462285-B A kind of synthetic method of disperse red F3BS 江苏道博化工有限公司 2017-06-27 CN disclosed
CN-105462285-A Synthesis method of disperse red F3BS JIANGSU DAOBO CHEMICAL CO LTD 2016-04-06 CN disclosed
CN-105462285-A Synthesis method of disperse red F3BS JIANGSU DAOBO CHEMICAL CO LTD 2016-04-06 CN disclosed
US-20160053120-A1 AZO DYE USED FOR A COLOR FILTER OF A LCD DOW CHEMICAL (CHINA) INVESTMENT COMPANY LIMITED (CN) 2016-02-25 US disclosed
WO-2014172922-A1 AZO DYE USED FOR COLOR FILTER OF A LCD DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-30 WO disclosed
US-5188641-A Acrylic polymers for dyeing textiles, plastics, paints, paper and lacquers; colorfastness; intensity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-4424155-A 3-AMINO-1,2,4-OXADIAZOL-5-YL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4053465-A CYANOPHENYL-AZO-AMINOPHENYL DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3993619-A AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed