SCHEMBL5502239

SCHEMBL5502239

COc1cc(C(N)=O)c([N+](=O)[O-])cc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 2/20 0.43
TPMT P51580 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL348156 0.89 LMNA (0.57) POLBLMNAHTTCYP3A4MAPT
SCHEMBL16945800 0.86 PKM (0.55) POLBLMNAHTTCYP3A4MAPT
SCHEMBL9908176 0.86 HTT (0.54) POLBLMNAHTTCYP3A4MAPT
SCHEMBL5256629 0.84 POLB (0.50) POLBLMNAHTTCYP3A4MAPT
SCHEMBL29734700 0.84 POLB (0.50) POLBLMNAHTTCYP3A4MAPT
SCHEMBL2313877 0.83 LMNA (0.46) POLBLMNAHTTCYP3A4MAPT
SCHEMBL1401369 0.81 ALDH1A1 (0.53) POLBLMNAHTTCYP3A4MAPT
SCHEMBL2840392 0.81 POLB (0.47) POLBLMNAHTTCYP3A4MAPT
SCHEMBL6815706 0.81 POLB (0.49) POLBLMNAHTTCYP3A4MAPT
SCHEMBL3698713 0.80 PKM (0.52) POLBLMNAHTTCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed