SCHEMBL5752469

SCHEMBL5752469

O=C(O)c1ccc([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP19A1 P11511 2/20 0.54
MLNR O43193 1/20 0.54
MMP1 P03956 1/20 0.54
MPO P05164 1/20 0.54
CYP1A2 P05177 1/20 0.54
GLA P06280 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54

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
SCHEMBL7823632 0.91 KDM4E (0.55) MAPTCYP3A4KDM4EALDH1A1TDP1
SCHEMBL5214063 0.88 MAPT (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17819637 0.86 PYGL (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2820914 0.84 ALDH1A1 (0.50) MAPTMEN1KMT2ACYP3A4TBXA2R
SCHEMBL13178555 0.84 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4452102 0.83 KMT2A (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17820557 0.83 TBXA2R (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28873495 0.83 SMN1; SMN2 (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7913156 0.82 PYGL (0.57) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL17037019 0.81 MEN1 (0.71) MAPTMEN1KMT2ALMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225894-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2006-07-05 EP disclosed
US-6730684-B1 KEY REGULATORY POINT IN THE OVERALL SYNTHETIC PATHWAY OF BACTERIAL FATTY ACID BIOSYNTHESIS; FABI IS AN IDEAL TARGET FOR ANTIBACTERIAL INTERVENTION AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-05-04 US disclosed
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed
US-4267344-A 3-PENTA/ALKOXY/BENZYL-; -XANTHYL-, -THIOXANTHYL-, OR -SELENOXANTHYLOXAZOLIDINE-2,5-DIONES PROTEINKEMISK INSTITUT. TILKNYTTET AKADEMIET FOR DE TEKNISKE VIDENSKABER (DK) 1981-05-12 US disclosed