SCHEMBL11095673

SCHEMBL11095673

O=[N+]([O-])c1cc2c(ccc3ccccc32)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 7/20 1.00
PAX8 Q06710 1/20 0.59
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
BRCA1 P38398 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 6/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL11233649 0.80 HNF4A (0.69) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL11247108 0.77 HNF4A (1.00) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL847484 0.77 HNF4A (0.62) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL31279602 0.76 HNF4A (1.00) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL11229865 0.76 HNF4A (1.00) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL31237996 0.76 HNF4A (1.00) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL27607138 0.76 HNF4A (0.61) HNF4APAX8TP53SMN1; SMN2KDM4E
SCHEMBL16001173 0.74 HNF4A (0.58) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL11093874 0.73 HNF4A (0.60) HNF4APAX8TP53CYP1A2BRCA1
SCHEMBL5026929 0.72 HNF4A (0.57) HNF4ATP53CYP1A2BRCA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033702-B1 2-NITRONAPHTHOFURANE DERIVATIVES, THEIR PREPARATION AND THEIR USE, IN PARTICULAR AS CELL-GROWTH REGULATORS ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1984-01-04 EP claimed
US-4341794-A ANIMAL GROWTH REGULATOR AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1982-07-27 US claimed
US-9981048-B2 Methods for the treatment and prevention of liver disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-05-29 US disclosed
US-9981048-B2 Methods for the treatment and prevention of liver disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-05-29 US disclosed
US-20140249209-A1 METHODS FOR THE TREATMENT AND PREVENTION OF LIVER DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-09-04 US disclosed
US-20140249209-A1 METHODS FOR THE TREATMENT AND PREVENTION OF LIVER DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-09-04 US disclosed
US-4341794-A ANIMAL GROWTH REGULATOR AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1982-07-27 US disclosed
US-4341794-A ANIMAL GROWTH REGULATOR AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1982-07-27 US disclosed
EP-0033702-A2 2-Nitronaphthofurane derivatives, their preparation and their use, in particular as cell-growth regulators ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1981-08-12 EP disclosed