SCHEMBL28796098

SCHEMBL28796098

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.45
▸ XDH P47989 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP19A1 P11511 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ GLA P06280 2/20 0.34
▸ GAA P10253 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BCL6 P41182 1/20 0.33
▸ BCOR Q6W2J9 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESPL1 Q14674 1/20 0.33
▸ NQO2 P16083 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
SCHEMBL11326442 0.86 MEN1 (0.46) VCAM1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL28337048 0.82 VCAM1 (0.53) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL30539772 0.82 VCAM1 (0.53) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL27768281 0.80 KMT2A (0.56) MEN1KMT2AHSP90AA1ALDH1A1CYP3A4
SCHEMBL29827517 0.80 KMT2A (0.56) MEN1KMT2AHSP90AA1ALDH1A1CYP3A4
SCHEMBL11571750 0.77 VCAM1 (0.42) VCAM1XDHMEN1KMT2AHSP90AA1
SCHEMBL15279742 0.77 VCAM1 (0.49) VCAM1XDHMEN1KMT2AALDH1A1
SCHEMBL30202647 0.73 VCAM1 (0.52) VCAM1XDHMEN1KMT2AALDH1A1
SCHEMBL623229 0.73 XDH (0.66) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL658767 0.73 VCAM1 (0.52) VCAM1XDHMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116876243-B Modified dyeing method of cotton fabric and modifier used in same 浙江理工大学 2024-11-29 — — CN claimed
CN-117402507-B Dyeing method for terylene and reactive dye containing two diazo groups 浙江理工大学 2024-03-26 — — CN claimed
CN-117402507-A Dyeing method for terylene and reactive dye containing two diazo groups 浙江理工大学 2024-01-16 — — CN claimed
CN-116876243-A Modified dyeing method of cotton fabric and modifier used in same 浙江理工大学 2023-10-13 — — CN claimed
CN-113620843-B Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2023-09-01 — — CN claimed
CN-113620843-A Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2021-11-09 — — CN claimed
CN-119119760-A Pyridone azo dye and preparation method thereof 大连理工大学 2024-12-13 — — CN disclosed
CN-116876243-B Modified dyeing method of cotton fabric and modifier used in same 浙江理工大学 2024-11-29 — — CN disclosed
CN-117402507-B Dyeing method for terylene and reactive dye containing two diazo groups 浙江理工大学 2024-03-26 — — CN disclosed
CN-220514146-U 2-cyano-4-nitro-6-bromoaniline diazo micro-channel reaction device 浙江长华科技股份有限公司 2024-02-23 — — CN disclosed
CN-117402507-A Dyeing method for terylene and reactive dye containing two diazo groups 浙江理工大学 2024-01-16 — — CN disclosed
CN-115976677-B Method for preparing colored meta-aramid fiber by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-12-22 — — CN disclosed
CN-114836997-B In-situ coupling color development method of meta-aramid fiber and obtained color development aramid fiber 浙江理工大学 2023-10-31 — — CN disclosed
CN-113620843-B Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2023-09-01 — — CN disclosed
CN-113620843-B Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2023-09-01 — — CN disclosed
CN-115976677-A Method for preparing colored meta-aramid by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-04-18 — — CN disclosed
CN-114836997-A In-situ coupling color development method of meta-aramid and obtained color development aramid 浙江理工大学 2022-08-02 — — CN disclosed
CN-113620843-A Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2021-11-09 — — CN disclosed
CN-113620843-A Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2021-11-09 — — CN disclosed
CN-113620843-A Synthesis method of 2-cyano-4-nitro-6-bromoaniline diazonium salt 浙江迪邦化工有限公司 2021-11-09 — — CN disclosed
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