SCHEMBL15546262

SCHEMBL15546262

O=c1[nH]c2cc(-c3ccccc3)nn2c2cc(I)ccc12

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.74
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4046195 0.85 PARP1 (1.00) PARP1CYP1A2
SCHEMBL15532419 0.85 PARP1 (0.75) PARP1CYP1A2
SCHEMBL30461662 0.85 PARP1 (0.75) PARP1CYP1A2
SCHEMBL4052397 0.83 PARP1 (0.94) PARP1CYP1A2
SCHEMBL25420566 0.77 PARP1 (0.62) PARP1CYP1A2
SCHEMBL16641855 0.77 PARP1 (0.62) PARP1
SCHEMBL16641854 0.76 PARP1 (0.60) PARP1CYP1A2
SCHEMBL4047260 0.75 PARP1 (0.80) PARP1CYP1A2
SCHEMBL5495907 0.75 PARP1 (0.79) PARP1CYP1A2
SCHEMBL4047902 0.73 PARP1 (0.76) PARP1CYP1A2

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-2861597-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2015-04-22 EP disclosed
WO-2014007405-A9 METHOD FOR PRODUCING AROMATIC COMPOUND 住友化学株式会社 (JP) 2014-02-27 WO disclosed
WO-2014007405-A1 METHOD FOR PRODUCING AROMATIC COMPOUND 住友化学株式会社 (JP) 2014-01-09 WO disclosed
WO-2013174822-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2013-11-28 WO disclosed