SCHEMBL5338145

SCHEMBL5338145

O=C1N=NC(c2ccccc2I)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
C1R P00736 5/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
C1S P09871 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7892212 0.79 ALDH1A1 (0.41) MEN1POLBKMT2AC1RALDH1A1
SCHEMBL8011185 0.79 ALDH1A1 (0.46) MEN1POLBKMT2AALDH1A1
SCHEMBL2230905 0.77 MAPT (0.48) MEN1POLBKMT2AALDH1A1ALOX15
SCHEMBL11052520 0.74 POLB (0.40) MEN1POLBKMT2AALDH1A1ALOX15
SCHEMBL9617399 0.74 MEN1 (0.40) MEN1POLBKMT2AALDH1A1ALOX15
SCHEMBL852350 0.74 EDNRB (0.33) MEN1POLBKMT2AALDH1A1
SCHEMBL7248118 0.73 RAB9A (0.46) MEN1POLBKMT2AALDH1A1
SCHEMBL2182063 0.73 KMT2A (0.46) MEN1POLBKMT2AALDH1A1ALOX15
SCHEMBL8554351 0.73 ALDH1A1 (0.43) MEN1POLBKMT2AALDH1A1ALOX15
SCHEMBL7884961 0.73 MAOB (0.40) MEN1POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed