SCHEMBL5493922

SCHEMBL5493922

COc1cc(C(N)=O)c([N+](=O)[O-])cc1OCCn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.55
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TUBB1 Q9H4B7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5502741 0.84 TBXAS1 (0.64) TBXAS1LMNAKDM4ETUBB1PKM
SCHEMBL5499495 0.79 L3MBTL1 (0.56) ALDH1A1LMNAL3MBTL1PKMSMN1; SMN2
SCHEMBL873870 0.79 POLB (0.53) ALDH1A1LMNAL3MBTL1PKMSMN1; SMN2
SCHEMBL348156 0.77 LMNA (0.57) ALDH1A1LMNAKDM4EL3MBTL1PKM
SCHEMBL2927309 0.76 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL15966774 0.75 HTT (0.47) ALDH1A1LMNAKDM4EL3MBTL1PKM
SCHEMBL8179907 0.74 LMNA (0.43) ALDH1A1LMNAL3MBTL1PKMSMN1; SMN2
SCHEMBL5499989 0.73 KDM4E (0.57) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL6532154 0.73 KDM4E (0.57) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL17826563 0.71 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EPKMSMN1; 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 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