SCHEMBL5496003

SCHEMBL5496003

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MITF O75030 1/20 0.42
MC4R P32245 1/20 0.42
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
AGBL2 Q5U5Z8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 7/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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 0.94 GAA (0.43) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL5504097 0.82 ALDH1A1 (0.43) ALDH1A1HPGDGAALMNAMAPT
SCHEMBL2872683 0.81 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL16321377 0.81 HTT (0.37) MEN1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL1190372 0.80 LMNA (0.45) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL18337880 0.76 ALDH1A1 (0.47) ALDH1A1HPGDGAALMNASMN1; SMN2
SCHEMBL29472069 0.76 ALDH1A1 (0.47) ALDH1A1HPGDGAALMNASMN1; SMN2
SCHEMBL30806900 0.73 MAPK1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16528622 0.73 PIN1 (0.51) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL15716224 0.73 GAA (0.49) MEN1KMT2AALDH1A1HPGDGAA

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