SCHEMBL26443682

SCHEMBL26443682

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)/C(=N\OC(C)=O)c3ccccc3C)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18123006 1.00 PDK2 (0.33) PDK2APEX1NPC1RAB9AKMT2A
SCHEMBL18122992 0.93 ALDH1A1 (0.34) NPC1RAB9AKMT2APOLBSMN1; SMN2
SCHEMBL18926234 0.93 PDK2 (0.35) PDK2
SCHEMBL25911827 0.92 PDK2 (0.35) PDK2NPC1RAB9AKMT2APOLB
SCHEMBL18123018 0.91 PDK2 (0.33) PDK2APEX1NPC1RAB9AKMT2A
SCHEMBL18123024 0.91 PDK2 (0.33) PDK2APEX1NPC1RAB9AKMT2A
SCHEMBL18123032 0.90 PDK2 (0.33) PDK2APEX1NPC1RAB9AKMT2A
SCHEMBL18926237 0.90 PDK2 (0.33) PDK2
SCHEMBL18123036 0.90 APEX1 (0.34) PDK2APEX1NPC1RAB9AKMT2A
SCHEMBL18122997 0.89 APEX1 (0.35) PDK2APEX1SMN1; SMN2

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
WO-2023067908-A1 ORGANIC EL DISPLAY DEVICE 東レ株式会社 2023-04-27 — — WO disclosed
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