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SCHEMBL12260366

SCHEMBL12260366

[2H]C([2H])([2H])C(c1ccc(-n2cc(C(C)C)c3ccccc32)cc1)(c1ccc(-n2cc(C(C)C)c3ccccc32)cc1)C([2H])([2H])[2H]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.42
▸ SCN9A Q15858 12/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KIF11 P52732 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ RORC P51449 2/20 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
SCHEMBL13430741 0.81 KCNH2 (0.49) KCNH2SCN9AALDH1A1KDM4ENR4A2
SCHEMBL12260492 0.78 KCNH2 (0.42) KCNH2SCN9A
SCHEMBL12260373 0.78 KDM4E (0.42) SCN9AALDH1A1KDM4ENR4A2
SCHEMBL13430732 0.77 KCNH2 (0.48) KCNH2SCN9AALDH1A1KDM4ENR4A2
SCHEMBL13430733 0.74 KCNH2 (0.46) KCNH2ALDH1A1KDM4ENR4A2RORC
SCHEMBL13430740 0.71 KDM4E (0.43) KCNH2ALDH1A1KDM4EKIF11NR4A2
SCHEMBL29291154 0.69 HSP90AA1 (0.44) KCNH2
SCHEMBL28534559 0.68 KCNH2 (0.50) KCNH2SCN9AALDH1A1KDM4ENR4A2
SCHEMBL29445759 0.68 KCNH2 (0.38) KCNH2SCN9AALDH1A1KDM4ERORC
SCHEMBL18976935 0.67 ATP4A (0.50) ALDH1A1

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
US-8012609-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2011-09-06 — — US disclosed
US-20090058279-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2009-03-05 — — US disclosed