SCHEMBL13816705

SCHEMBL13816705

CC1(I)C=Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MAOB P27338 1/20 0.32

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
SCHEMBL1697644 0.79 PARP1 (0.36) PARP1CA1CA2MAOB
SCHEMBL23781284 0.76 PARP1 (0.34) PARP1CA1CA2MAOB
SCHEMBL15940564 0.76 PARP1 (0.34) PARP1CA1CA2
SCHEMBL5133900 0.76 PARP1 (0.34) PARP1CA1CA2MAOB
SCHEMBL2288761 0.74 PARP1 (0.39) PARP1CA1CA2MAOB
SCHEMBL9549356 0.72 PTGS1 (0.32) PARP1CA1CA2MAOB
SCHEMBL1725344 0.71 PARP1 (0.36) PARP1CA1CA2MAOB
SCHEMBL7882155 0.71 PARP1 (0.36) PARP1CA1CA2MAOB
SCHEMBL258234 0.71 PARP1 (0.36) PARP1CA1CA2MAOB
SCHEMBL31520302 0.71 PARP1 (0.36) PARP1CA1CA2MAOB

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
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 EP disclosed