SCHEMBL2964049

SCHEMBL2964049

N#Cc1cc([N+](=O)[O-])cc(C#N)c1N

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.77
VCAM1 P19320 3/20 0.61
ALDH1A1 P00352 7/20 0.50
CYP19A1 P11511 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 3/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL30270558 0.89 XDH (0.68) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL2954149 0.89 XDH (0.68) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL30539734 0.87 ALDH1A1 (0.67) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL11404334 0.87 XDH (1.00) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL30589097 0.87 XDH (0.66) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL623229 0.87 XDH (0.66) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL2967615 0.87 XDH (0.66) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL13365149 0.87 XDH (0.66) XDHVCAM1ALDH1A1CYP19A1LMNA
SCHEMBL217091 0.87 ALDH1A1 (0.67) XDHVCAM1ALDH1A1CYP19A1LMNA
Nitrogen SCHEMBL28796101 0.86 XDH (0.64) XDHVCAM1ALDH1A1CYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478559-B High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2024-10-11 CN claimed
CN-116478559-A High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2023-07-25 CN claimed
CN-112500713-B Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2023-04-14 CN claimed
CN-112500713-A Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2021-03-16 CN claimed
CN-116478559-B High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2024-10-11 CN disclosed
CN-116478559-A High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2023-07-25 CN disclosed
CN-116023268-A Method for preparing 5-nitroisophthalic acid by continuous nitration 深圳智微通科技有限公司 2023-04-28 CN disclosed
CN-112500713-B Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2023-04-14 CN disclosed
CN-113831757-A Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2021-12-24 CN disclosed
CN-112371072-B System and process for continuously producing diazonium salt solution 浙江迪邦化工有限公司 2021-08-10 CN disclosed
CN-112500713-A Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2021-03-16 CN disclosed
CN-112371072-A System and process for continuously producing diazonium salt solution 浙江迪邦化工有限公司 2021-02-19 CN disclosed
US-4016152-A SUITABLE FOR DYEING POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3998802-A POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3974123-A Dyes for thermoplastics BASF AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3970617-A POLYESTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-20 US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 US disclosed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed