SCHEMBL6534873

SCHEMBL6534873

COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
POLB P06746 2/20 0.61
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
VCAM1 P19320 1/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAF1 P04049 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TPMT P51580 1/20 0.50
USP10 Q14694 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL11540771 0.89 POLB (0.61) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL8184777 0.87 TPMT (0.62) MAPTPOLBHPGDALDH1A1LMNA
SCHEMBL11543280 0.87 VCAM1 (0.53) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL6136038 0.87 MAPT (0.56) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL6135845 0.83 MAPT (0.56) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL5216905 0.83 TPMT (0.64) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL11546125 0.80 POLB (0.55) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL11517426 0.80 VCAM1 (0.46) MAPTPOLBHPGDALDH1A1NPSR1
SCHEMBL8462586 0.79 TPMT (0.59) MAPTALDH1A1VCAM1MEN1KMT2A
SCHEMBL30740961 0.79 TPMT (0.59) MAPTALDH1A1VCAM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003498-A4 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECH INC (US) 2004-07-14 EP disclosed
US-6433012-B1 ADMINISTERING METHYL DIIODO-BENZOATE DERIVATIVES AS ANGIOGENESIS INHIBITORS; REDUCING TUMOR NECROSIS FACTOR; TREATING INFLAMMATORY BOWEL AND CROHN*S DISEASE LARGE SCALE BIOLOGY CORP. 2002-08-13 US disclosed
WO-2002020004-A1 METHODS FOR INHIBITING INFLAMMATORY DISEASE LARGE SCALE BIOLOGY CORPORATION (US) 2002-03-14 WO disclosed
EP-1063985-A1 BENZOATES DERIVATIVES FOR INHIBITING ANGIOGENESIS Biosource Technologies, Inc. (US) 2001-01-03 EP disclosed
US-6169104-B1 COMPOUNDS BIND TUBULIN AND EXHIBIT ANTI-MITOTIC PROPERTIES; USING SUCH COMPOUNDS TO INHIBIT ABNORMAL CELL MITOSIS AND, IN PARTICULAR, TO INHIBIT TUMOR CELL GROWTH LARGE SCALE BIOLOGY CORPORATION 2001-01-02 US disclosed
US-6150407-A Methods for inhibiting angiogenesis LARGE SCALE BIOLOGY CORPORATION (US) 2000-11-21 US disclosed
EP-1003498-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS Biosource Technologies, Inc. (US) 2000-05-31 EP disclosed
WO-1999048495-A1 BENZOATES DERIVATIVES FOR INHIBITING ANGIOGENESIS BIOSOURCE TECHNOLOGIES, INC. (US) 1999-09-30 WO disclosed
WO-1998042328-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECHNOLOGIES, INC. (US) 1998-10-01 WO disclosed