SCHEMBL5504097

SCHEMBL5504097

CC(=O)Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
HPD P32754 1/20 0.39
FGFR4 P22455 1/20 0.39
TTR P02766 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
SCHEMBL5495999 0.85 GAA (0.43) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL18337880 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL29472069 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL5496003 0.82 MEN1 (0.42) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL1190372 0.79 LMNA (0.45) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL16322862 0.78 MAPT (0.39) ALDH1A1HPGDLMNAPOLBMAPK1
SCHEMBL30806900 0.77 MAPK1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1MAPT
SCHEMBL15716224 0.77 GAA (0.49) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL27889651 0.77 CYP2C19 (0.45) ALDH1A1CYP3A4HPGDKDM4EGAA
SCHEMBL29028919 0.76 MAPK1 (0.51) ALDH1A1TDP1CYP3A4TSHRHPGD

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