SCHEMBL10509366

SCHEMBL10509366

O=C1OC(O)c2cc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
PTGS2 P35354 5/20 0.48
PTGS1 P23219 2/20 0.48
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APP P05067 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFE2L2 Q16236 2/20 0.42
FBP1 P09467 1/20 0.42
GALK1 P51570 1/20 0.41
BCHE P06276 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PELI1 Q96FA3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP18 Q9UMW8 1/20 0.40
UCHL5 Q9Y5K5 1/20 0.40

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
SCHEMBL10509375 1.00 CYP19A1 (0.51) CYP19A1PTGS2PTGS1MAPTNPC1
SCHEMBL22911974 0.84 ALDH1A1 (0.51) MAPTRAB9AMEN1KMT2ABCHE
SCHEMBL11022300 0.84 MAOB (0.40) CYP19A1PTGS2PTGS1MAPTMEN1
SCHEMBL11022298 0.84 MAOB (0.40) CYP19A1PTGS2PTGS1MAPTMEN1
SCHEMBL10506622 0.83 MAOA (0.48) MEN1KMT2AMAOBALDH1A1
SCHEMBL10506627 0.83 MAOA (0.48) MEN1KMT2AMAOBALDH1A1
SCHEMBL10507593 0.78 MEN1 (0.48) MAPTMEN1KMT2AFBP1MAOB
SCHEMBL10507599 0.78 MEN1 (0.48) MAPTMEN1KMT2AFBP1MAOB
SCHEMBL10507533 0.77 RELA (0.48) CYP19A1PTGS2PTGS1MAPTAPP
SCHEMBL2532509 0.76 ALDH1A1 (0.51) MAPTMEN1KMT2ABCHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164593-B1 ANTI-INFLAMMATORY PHTHALAZINONES FISONS CORPORATION (US) 1989-11-15 EP disclosed
US-4665181-A Anti-inflammatory phthalazinones PENNWALT CORPORATION (US) 1987-05-12 US disclosed
EP-0164593-A1 Anti-inflammatory phthalazinones FISONS CORPORATION (US) 1985-12-18 EP disclosed