SCHEMBL13447247

SCHEMBL13447247

C1=CC2Oc3ccc(-c4cccc(-c5c6ccc(-c7ccccc7)cc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7ccccc7)cc56)c4)cc3C2C=C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL13447248 0.97 CA12 (0.34) CA12CA1CA2CA9EDNRB
SCHEMBL12640650 0.94 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL13447366 0.92 CA12 (0.34) CA12CA1CA2CA9EDNRB
SCHEMBL24177858 0.90 SIRT2 (0.30) CA12CA1CA2CA9
SCHEMBL25781415 0.89 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL13250696 0.88
SCHEMBL25450118 0.87 KDM4E (0.32)
SCHEMBL25450120 0.87 KDM4E (0.35) CA12CA9
SCHEMBL24175752 0.86 GABRA1 (0.31) EDNRBEDNRA
SCHEMBL13250835 0.85

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-2163550-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-03-17 EP disclosed