SCHEMBL28001115

SCHEMBL28001115

O=Cc1ccc2c([N+](=O)[O-])cccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.68
▸ TDP1 Q9NUW8 1/20 0.58
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.52
▸ CTSB P07858 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 1/20 0.45
▸ APAF1 O14727 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL28001454 0.82 ERN1 (0.56) ERN1CTSB
SCHEMBL1394957 0.81 TDP1 (0.69) ERN1TDP1NCOA1NCOA3GPR35
SCHEMBL311131 0.81 ERN1 (1.00) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL31145561 0.81 ERN1 (1.00) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL29114884 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL29114874 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL30661191 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL11417400 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM
Potassium SCHEMBL30661194 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM
SCHEMBL11417397 0.80 ERN1 (0.96) ERN1GPR35ALDH1A1APAF1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104387217-B Utilize naphthol derivative to prepare the method for adjacent hydroxyl naphthaldehyde compounds NORTHWEST NORMAL UNIVERSITY (CN) 2016-05-25 — — CN disclosed
CN-104387217-A Method for preparing o-hydroxynaphthalene formaldehyde compound from naphthol derivative UNIV NORTHWEST NORMAL 2015-03-04 — — CN disclosed
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