SCHEMBL6167530

SCHEMBL6167530

C=CCc1cc([N+](=O)[O-])c(C(=O)NC)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
HCAR3 P49019 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FBP1 P09467 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
XDH P47989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6179002 0.84 TDP1 (0.42) TDP1POLBHCAR3GABRA1GABRB2
SCHEMBL3262597 0.83 HCAR3 (0.41) TDP1POLBHCAR3FBP1MEN1
SCHEMBL6172661 0.77 PTPN11 (0.37) ALDH1A1KDM4EHSD17B10
SCHEMBL3247587 0.71 MAPK14 (0.46) TDP1POLBHCAR3SLC6A2SLC6A4
SCHEMBL28784893 0.67 SLC6A2 (0.36) TDP1POLBHCAR3SLC6A2SLC6A4
SCHEMBL7699059 0.63 GABRA1 (0.55) TDP1GABRA1GABRB2MAPTMEN1
SCHEMBL28784888 0.63 ALDH1A1 (0.43) TDP1POLBMAPTHTTMEN1
SCHEMBL6181801 0.63 GAA (0.37) TDP1POLBMAPTMEN1KMT2A
SCHEMBL11756695 0.62 NPSR1 (0.56) TDP1POLBHCAR3MAPTHTT
SCHEMBL7645214 0.62 GABRA1 (0.41) TDP1POLBHCAR3GABRA1GABRB2

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
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed