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Sugi Predict / Compounds / SCHEMBL11917672

SCHEMBL11917672

SCHEMBL11917672

Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)c3cc(C(C)(C)c5ccc(-c6ccc7c(c6)C(C)(C)C(C)(C)c6cc(C)ccc6-7)c6nsnc56)ccc3-4)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.34
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL11917694 0.89 PDK2 (0.39) PDK2ESR1
SCHEMBL11917670 0.87 PDK2 (0.31) PDK2
SCHEMBL25445471 0.82 PDK2 (0.38) PDK2ESR1
SCHEMBL13901059 0.79 PDK2 (0.42) PDK2
SCHEMBL11917669 0.78 NPC1 (0.41) PDK2CNR1CNR2
SCHEMBL17249781 0.77 PDK2 (0.37) PDK2ESR1
SCHEMBL25445468 0.76 ESR1 (0.37) PDK2ESR1
SCHEMBL11917684 0.75 PDK2 (0.34) PDK2ESR1
SCHEMBL25445458 0.74 ESR1 (0.36) PDK2ESR1
SCHEMBL25444720 0.73 PDK2 (0.33) PDK2ESR1

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-8242235-B2 Purification process of electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2012-08-14 — — US disclosed
US-20070275628-A1 Purification Process of Electroluminescent Material, Electroluminescent Material and Electroluminescent Device HITACHI CHEMICAL CO., LTD. (JP) 2007-11-29 — — US disclosed
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