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Sugi Predict / Compounds / SCHEMBL6166515

SCHEMBL6166515

SCHEMBL6166515

CCOC(=O)c1cc(OC)c(OC(C)C2CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CCR6 P51684 1/20 0.39

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
SCHEMBL6168127 0.83 KDM4E (0.45) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL2333730 0.81 HTT (0.59) MAPTTHRBLMNAPOLBHTT
SCHEMBL3473411 0.78 MAPT (0.49) MAPTTHRBLMNAPOLBHTT
SCHEMBL6222829 0.77 MAPT (0.56) MAPTLMNAPOLBHTTMEN1
SCHEMBL8263297 0.77 MEN1 (0.55) MAPTTHRBLMNAPOLBHTT
SCHEMBL5551667 0.76 SLC6A2 (0.41) MAPTLMNAPOLBHTTMEN1
SCHEMBL2331208 0.73 ALDH1A1 (0.50) MAPTTHRBLMNAPOLBHTT
SCHEMBL5500527 0.73 HTT (0.53) MAPTTHRBLMNAPOLBHTT
SCHEMBL26412610 0.72 LMNA (0.44) MAPTLMNAPOLBHTTMEN1
SCHEMBL7980336 0.72 HTT (0.51) MAPTTHRBLMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534287-A1 COMBINATION OF ZD6474, AN INHIBITOR OF THE VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, WITH RADIOTHERAPY IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-06-01 — — EP disclosed
EP-1446124-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE AstraZeneca AB (SE) 2004-08-18 — — EP disclosed
WO-2004014383-A1 COMBINATION OF ZD6474, AN INHIBITOR OF THE VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, WITH RADIOTHERAPY IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-02-19 — — WO disclosed
WO-2003039551-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE ASTRAZENECA AB (SE) 2003-05-15 — — WO disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 — — EP disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 — — EP disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 — — EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 — — EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 — — WO disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 — — WO disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 — — WO disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — WO disclosed