SCHEMBL9328746

SCHEMBL9328746

O=[N+]([O-])C=Cc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.58
▸ FBP1 P09467 5/20 0.53
▸ TLR4 O00206 1/20 0.53
▸ TLR2 O60603 1/20 0.53
▸ NFKB1 P19838 2/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ JUN P05412 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ EGFR P00533 2/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ ABL2 P42684 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ TRIM24 O15164 1/20 0.48
▸ TRIM33 Q9UPN9 1/20 0.48

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
SCHEMBL6872640 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2NFKB1
SCHEMBL29960004 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2NFKB1
SCHEMBL1805981 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2EGFR
SCHEMBL1805984 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2EGFR
SCHEMBL13930333 0.78 RXRA (0.59) RXRAFBP1TLR4TLR2EGFR
SCHEMBL8413165 0.77 MAPT (0.62) NFKB1MAPTLMNATRPA1NPC1
SCHEMBL104148 0.76 HSP90AA1 (0.63) RXRAFBP1TLR4TLR2MAPT
SCHEMBL470811 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2NFE2L2
SCHEMBL798354 0.76 RXRA (0.58) RXRAFBP1TLR4TLR2MAPT
SCHEMBL4723192 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 — — CN claimed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN claimed
CN-101851222-A Synthetic method of 2-amido-3-nitrile-4-nitromethyl-4H-chromene and derivative thereof UNIV ZHEJIANG NORMAL 2010-10-06 — — CN claimed
CN-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 — — CN disclosed
CN-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 — — CN disclosed
CN-114746103-A Rapafucin derivative compounds and methods of use thereof 约翰霍普金斯大学 2022-07-12 — — CN disclosed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN disclosed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN disclosed
CN-106083959-B 1,4(-NO2), 5- tri- replaces 1,2,3- triazole glycoconjugate and its derivative 武汉工程大学 2019-05-28 — — CN disclosed
CN-106046087-B 1,5- bis- replaces 1,2,3- triazole glycoconjugate and its derivative 武汉工程大学 2019-05-03 — — CN disclosed
CN-106083959-A 1,4 (NO2), 5 three replacement 1,2,3 triazole glycoconjugate and derivants thereof 武汉工程大学 2016-11-09 — — CN disclosed
CN-103497108-A Synthesis method of p-hydroxy-beta-nitrostyrene UNIV NORTH CHINA 2014-01-08 — — CN disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 — — US disclosed
CN-101851222-A Synthetic method of 2-amido-3-nitrile-4-nitromethyl-4H-chromene and derivative thereof UNIV ZHEJIANG NORMAL 2010-10-06 — — CN disclosed
CN-101851222-A Synthetic method of 2-amido-3-nitrile-4-nitromethyl-4H-chromene and derivative thereof UNIV ZHEJIANG NORMAL 2010-10-06 — — CN disclosed
EP-0375723-B1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING S COLLEGE LONDON (GB) 1994-03-23 — — EP disclosed
US-5221606-A REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED KING'S COLLEGE LONDON (GB) 1993-06-22 — — US disclosed
EP-0375723-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES. KING S COLLEGE LONDON (GB) 1990-07-04 — — EP disclosed
EP-0346912-A2 Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity Toyo Boseki Kabushiki Kaisha (JP) 1989-12-20 — — EP disclosed
WO-1989002473-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING'S COLLEGE LONDON (GB) 1989-03-23 — — WO disclosed
Send feedback