SCHEMBL3947690

SCHEMBL3947690

[CH2]c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ VCAM1 P19320 1/20 0.58
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 7/20 0.45
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ HCRTR1 O43613 1/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL7974830 0.83 TDP1 (0.64) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL5178027 0.80 TSHR (0.56) ALDH1A1HIF1AATMTDP1LMNA
SCHEMBL11579276 0.78 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL29462663 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL102780 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL15072384 0.78 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL30388759 0.78 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL306375 0.77 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL35276 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1ATMTDP1
Hydrogen Sulfide SCHEMBL21810723 0.77 ATM (0.67) ALDH1A1HIF1AVCAM1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
CN-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 — — CN disclosed
CN-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 — — CN disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP disclosed
CN-110337308-A exon skipping oligomer conjugates for muscular dystrophy 萨勒普塔医疗公司 2019-10-15 — — CN disclosed
CN-110290812-A exon skipping oligomer conjugates for muscular dystrophy 萨勒普塔医疗公司 2019-09-27 — — CN disclosed
CN-106573897-B Benzimidazol-2-amines as mIDH1 inhibitors 拜耳制药股份公司 2019-09-24 — — CN disclosed
CN-109937201-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2019-06-25 — — CN disclosed
CN-109152792-A Process for preparing phosphoric acid diamide morpholino oligomer 萨勒普塔医疗公司 2019-01-04 — — CN disclosed
CN-106413402-A Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2017-02-15 — — CN disclosed
CN-105980365-A Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2016-09-28 — — CN disclosed
CN-102656163-B Suppress the heterogeneous ring compound of PASK BIOENERGENIX (US) 2016-01-13 — — CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-101384577-B Novel coumarin derivative having antitumor activity CHUGAI PHARMACEUTICAL CO LTD 2011-10-19 — — CN disclosed
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 — — CN disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 — — WO disclosed
CN-101006078-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-07-25 — — CN disclosed
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