SCHEMBL7908796

SCHEMBL7908796

CCC(C)(C)c1cc(N)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.54
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NSD2 O96028 1/20 0.49
GAA P10253 1/20 0.49
PLCG1 P19174 1/20 0.49
DNMT1 P26358 1/20 0.49
CASP6 P55212 1/20 0.49
CA4 P22748 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL28570533 0.89 GPR35 (0.68) GPR35CA9CA12CA1CA2
SCHEMBL27245483 0.87 GPR35 (0.53) GPR35CA9CA12CA1CA2
SCHEMBL29210886 0.85 GPR35 (0.51) GPR35CA9CA12CA1CA2
SCHEMBL5732555 0.84 GPR35 (0.61) GPR35CA9CA12CA1CA2
SCHEMBL15157099 0.78 TSHR (0.53) GPR35ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9628369 0.78 ALDH1A1 (0.70) GPR35CA9CA12CA1CA2
SCHEMBL10391739 0.76 RRM1 (0.44) GPR35CA9CA12CA1CA2
SCHEMBL24711215 0.75 MAPK1 (0.50) GPR35CA9CA12CA1CA2
SCHEMBL7036531 0.74 MEN1 (0.36) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL28002150 0.72 GPR35 (0.43) GPR35GAACASP6ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043407-A Metal complex dyes for inkjet printing 录象射流技术公司 2024-05-14 CN claimed
CN-102267916-B Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2014-04-02 CN claimed
CN-102267916-A Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol 2011-12-07 CN claimed
EP-4381016-A1 METAL COMPLEX DYES FOR INKJET PRINTING Videojet Technologies Inc. (US) 2024-06-12 EP disclosed
CN-118043407-A Metal complex dyes for inkjet printing 录象射流技术公司 2024-05-14 CN disclosed
WO-2023014703-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2023-02-09 WO disclosed
WO-2023014703-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2023-02-09 WO disclosed
CN-112661649-B 2,6-dinitro-4-tert-amylphenol and preparation method thereof 宁波龙欣精细化工有限公司 2023-01-10 CN disclosed
CN-112661649-A 2, 6-dinitro-4-tert-amylphenol and preparation method thereof 宁波龙欣精细化工有限公司 2021-04-16 CN disclosed
CN-105585871-A Preparation method of heavy-metal-free dye HUBEI WEIQING POLYMER TECH CO LTD 2016-05-18 CN disclosed
CN-102267916-B Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2014-04-02 CN disclosed
CN-102267916-B Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2014-04-02 CN disclosed
CN-102267916-B Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2014-04-02 CN disclosed
CN-102267916-A Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol 2011-12-07 CN disclosed
CN-102267916-A Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol 2011-12-07 CN disclosed
CN-102267916-A Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol 2011-12-07 CN disclosed
CN-101823967-A Synthesis process of 2, 6-dinitro-4-alkylphenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2010-09-08 CN disclosed
US-6197467-B1 HEAT RESISTANCE AND LIGHT FASTNESS, DISPERSIBILITY IN, WETTABILITY LESS DAMAGE TO PHOTORECEPTOR WHEN USED IN TONER, UNLIKELY TO DROP FROM TONER PARTICLES DURING CHARGING ORIENT CHEMICAL INDUSTRIES (JP) 2001-03-06 US disclosed
US-4322529-A Tertiary-alkylamine salts of azine dyestuffs CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-3994872-A SOLUBILITY CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed