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SCHEMBL11917694

SCHEMBL11917694

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.39
▸ ESR1 P03372 1/20 0.34
▸ PGR P06401 1/20 0.32
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL25445471 0.92 PDK2 (0.38) PDK2ESR1PGRNPC1RAB9A
SCHEMBL11917672 0.89 PDK2 (0.34) PDK2ESR1
SCHEMBL17249781 0.86 PDK2 (0.37) PDK2ESR1PGR
SCHEMBL25445468 0.86 ESR1 (0.37) PDK2ESR1
SCHEMBL11917684 0.84 PDK2 (0.34) PDK2ESR1
SCHEMBL25445458 0.84 ESR1 (0.36) PDK2ESR1
SCHEMBL25444720 0.83 PDK2 (0.33) PDK2ESR1
SCHEMBL25444719 0.83 PDK2 (0.33) PDK2ESR1
SCHEMBL11917693 0.81 NPC1 (0.49) PDK2NPC1RAB9AMEN1TP53
SCHEMBL12157449 0.81 PDK2 (0.45) PDK2PGRNPC1RAB9AMEN1

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
US-8242235-B2 Purification process of electroluminescent material, electroluminescent material and electroluminescent device HITACHI CHEMICAL CO., LTD. (JP) 2012-08-14 — — US disclosed
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