SCHEMBL11095256

SCHEMBL11095256

Cc1cc(O)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.62
TSHR P16473 4/20 0.52
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 6/20 0.44
RECQL P46063 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL2232801 0.86 GPR35 (0.61) GPR35TSHRALOX15MAPK1L3MBTL1
SCHEMBL4847900 0.80 GPR35 (0.80) GPR35TSHRALOX15MAPK1HSD17B10
SCHEMBL11113072 0.80 GPR35 (0.67) GPR35TSHRALOX15MAPK1HSD17B10
SCHEMBL7786697 0.80 TSHR (0.60) GPR35TSHRALOX15MAPK1L3MBTL1
SCHEMBL349045 0.80 GPR35 (0.55) GPR35TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL29816776 0.80 GPR35 (0.55) GPR35TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL2970574 0.78 ALDH1A1 (0.63) GPR35TSHRMAPK1L3MBTL1CYP3A4
SCHEMBL8449685 0.78 ALDH1A1 (0.66) GPR35TSHRALOX15MAPK1HSD17B10
SCHEMBL4264263 0.78 ERN1 (0.51) GPR35TSHRALOX15MAPK1HSD17B10
SCHEMBL322531 0.77 GPR35 (1.00) GPR35TSHRALOX15MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4367235-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1983-01-04 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed
EP-0003298-B1 4-HYDROXY-2-BENZIMIDAZOLIN-THION DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-03-25 EP disclosed
US-4215134-A B-RECEPTOR BLOCKING AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-07-29 US disclosed
EP-0003298-A2 4-Hydroxy-2-benzimidazolin-thion derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-08-08 EP disclosed
EP-0000784-A1 4-Hydroxy-2-benzimidazolinone derivatives, process for their preparation and their use in medicaments Roche Diagnostics GmbH (DE) 1979-02-21 EP disclosed