SCHEMBL26018019

SCHEMBL26018019

O=c1[nH]c(I)cc2c1CCCN2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.45
▸ GRIA2 P42262 1/20 0.45
▸ GRIA3 P42263 1/20 0.45
▸ GRIA4 P48058 1/20 0.45
▸ PARP1 P09874 14/20 0.38
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ OR51E2 Q9H255 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PRKD1 Q15139 1/20 0.34

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
SCHEMBL20977682 0.79 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL26017823 0.72 GRIN2D (0.41) PARP1
SCHEMBL26018345 0.68 PARP10 (0.45) PARP1
SCHEMBL7103933 0.67 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL5993417 0.66 UHRF1 (0.47) GRIA1GRIA2GRIA3GRIA4ATM
SCHEMBL29987830 0.66 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL26018020 0.64 UHRF1 (0.42) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4929162 0.62 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL6781370 0.62 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL1686017 0.62 UHRF1 (0.40) GRIA1GRIA2GRIA3GRIA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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