SCHEMBL5499435

SCHEMBL5499435

CC(C)(C)C(=O)OCn1cnc2cc(OCCCN3CCOCC3)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
SRC P12931 2/20 0.46
MET P08581 2/20 0.46
EPHX2 P34913 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRM4 Q14833 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 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
SCHEMBL6789011 0.84 TNF (0.48) SRCMETALDH1A1AURKAAURKB
SCHEMBL7870624 0.79 FGFR1 (0.47) FGFR1SRCMETEPHX2SIGMAR1
SCHEMBL5493928 0.77 PRKCA (0.46) ALDH1A1LMNAHPGDGAA
SCHEMBL4386072 0.75 TNF (0.49) SRC
SCHEMBL2947219 0.75 EHMT2 (0.50)
SCHEMBL5216513 0.75 HDAC6 (0.45) KDM4E
SCHEMBL8524867 0.74 EGFR (0.40) SRCMETALDH1A1AURKAAURKB
SCHEMBL18632343 0.73 MMP1 (0.45)
SCHEMBL18632341 0.73 MMP1 (0.45)
SCHEMBL6589975 0.71 SMN1; SMN2 (0.53) ALDH1A1MAPK1LMNAHPGDGAA

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-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 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
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 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