SCHEMBL8202301

SCHEMBL8202301

O=[C]c1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
HTR7 P34969 1/20 0.47
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SCN2A Q99250 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOB P27338 1/20 0.43
APP P05067 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRC P08575 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7433163 0.84 ESR2 (0.56) ALDH1A1LMNAHTR7CASP3SENP8
SCHEMBL7432122 0.82 PTPRC (0.47) ALDH1A1LMNACASP3SENP8SENP7
SCHEMBL28240316 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL11379484 0.79 PTGS2 (0.52) ALDH1A1LMNAPOLBTDP1PTPRC
SCHEMBL1124775 0.78 HTR7 (0.43) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL57735 0.76 ALDH1A1 (0.42) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL7821087 0.76 ALDH1A1 (0.74) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL27685518 0.75 HTR7 (0.43) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL28339189 0.75 HTR7 (0.43) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL224641 0.74 CASP3 (0.42) ALDH1A1LMNACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013823-A AS CHEMICAL INTERMEDIATES; UTROTONIC AGENTS, BRONCHODIALATORS NEW PHARMA INTERNATIONAL CORP. (UY) 2000-01-11 US disclosed
US-5817694-A OXYTOCICS NEW PHARMA INTERNATIONAL CORP. (UY) 1998-10-06 US disclosed
EP-0574185-B1 PGE1 analogs NEWPHARMA INTERNATIONAL CORP (UY) 1997-09-03 EP disclosed
EP-0574185-A2 PGE1 analogs NEWPHARMA INTERNATIONAL CORPORATION (UY) 1993-12-15 EP disclosed