SCHEMBL28706253

SCHEMBL28706253

CC1(C)c2ccccc2Nc2ccccc21.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.64
▸ PDK4 Q16654 1/20 0.64
▸ HTR5A P47898 2/20 0.47
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NOX1 Q9Y5S8 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL31911 0.97 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
SCHEMBL29371027 0.97 PDK2 (0.67) PDK2PDK4HTR5AGAAMAPT
Propane SCHEMBL28210963 0.90 PDK2 (0.59) PDK2PDK4HTR5AGAAMAPT
Propane SCHEMBL28225298 0.90 PDK2 (0.59) PDK2PDK4HTR5AGAAMAPT
Boric Acid SCHEMBL28431171 0.88 PDK2 (0.57) PDK2PDK4HTR5AGAAMAPT
Boric Acid SCHEMBL28260556 0.88 PDK2 (0.57) PDK2PDK4HTR5AGAAMAPT
SCHEMBL12723263 0.88 PDK2 (0.57) PDK2PDK4HTR5AGAAMAPT
SCHEMBL25012048 0.86 PDK2 (0.55) PDK2PDK4HTR5AGAAMAPT
SCHEMBL22481656 0.85 PDK2 (0.54) PDK2PDK4HTR5AGAAMAPT
SCHEMBL12109350 0.83 PDK2 (0.52) PDK2PDK4HTR5A

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
CN-110183477-B Organic electroluminescent compounds and use thereof 石家庄诚志永华显示材料有限公司 2022-03-04 — — CN disclosed
CN-110183477-A Organic electroluminescent compounds and its application 北京诚志永华显示科技有限公司 2019-08-30 — — CN disclosed
Send feedback