SCHEMBL28547890

SCHEMBL28547890

CC1(C)c2ccccc2-c2ccc(Nc3ccccc3)c(-c3ccc(-c4ccccc4Br)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FABP4 P15090 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CHAT P28329 1/20 0.31
▸ SNCA P37840 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
SCHEMBL28547891 0.91 PDK2 (0.33) ALDH1A1MAPK1PDK2CHATSNCA
SCHEMBL16115803 0.89 PDK2 (0.35) ALDH1A1MAPK1PDK2CHATSNCA
SCHEMBL28111740 0.86 STK10 (0.36) FABP4PDK2MAPK14CHATSNCA
SCHEMBL31647670 0.86 ALDH1A1 (0.36) ALDH1A1MAPK1PDK2
SCHEMBL2551825 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1PDK2CHATSNCA
SCHEMBL28241160 0.79 PDK2 (0.37) ALDH1A1MAPK1PDK2CHATSNCA
SCHEMBL27933556 0.79 PDK2 (0.39) FABP4PDK2
SCHEMBL2859104 0.79 ATM (0.35) ALDH1A1CHATSNCA
SCHEMBL17243448 0.77 ALDH1A1 (0.36) ALDH1A1PDK2CHATSNCA
SCHEMBL16433541 0.77 MAPKAPK2 (0.33) ALDH1A1PDK2CHATSNCA

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
CN-112409194-A Compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2021-02-26 — — CN disclosed
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