SCHEMBL7316095

SCHEMBL7316095

O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 1.00
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL29683066 0.82 NOTUM (0.69) NOTUMMEN1MAPTKMT2AL3MBTL1
SCHEMBL2291156 0.81 NOTUM (0.68) NOTUMMEN1MAPTKMT2A
SCHEMBL5544153 0.75 NOTUM (1.00) NOTUM
SCHEMBL22160359 0.75 NOTUM (0.68) NOTUM
SCHEMBL5541925 0.75 NOTUM (1.00) NOTUMMEN1KMT2A
SCHEMBL5547617 0.75 NOTUM (0.68) NOTUM
SCHEMBL7323238 0.75 NOTUM (0.68) NOTUM
SCHEMBL2898202 0.75 NOTUM (1.00) NOTUM
SCHEMBL5542943 0.75 NOTUM (0.92) NOTUM
SCHEMBL9720227 0.74 MAPT (0.70) NOTUMMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed