SCHEMBL16115803

SCHEMBL16115803

CC1(C)c2ccccc2-c2ccc(Nc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.35
▸ CHAT P28329 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ STK10 O94804 1/20 0.34
▸ SLK Q9H2G2 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL28111740 0.97 STK10 (0.36) PDK2CHATSNCASTK10SLK
SCHEMBL31647670 0.91 ALDH1A1 (0.36) PDK2STK10SLKMEN1KMT2A
SCHEMBL28547890 0.89 ALDH1A1 (0.37) PDK2CHATSNCAALDH1A1MAPK1
SCHEMBL27933556 0.87 PDK2 (0.39) PDK2CYP3A4TSHR
SCHEMBL28547891 0.87 PDK2 (0.33) PDK2CHATSNCAMEN1KMT2A
SCHEMBL16433541 0.87 MAPKAPK2 (0.33) PDK2CHATSNCASTK10SLK
SCHEMBL2551825 0.86 ALDH1A1 (0.36) PDK2CHATSNCAMEN1KMT2A
SCHEMBL17243448 0.84 ALDH1A1 (0.36) PDK2CHATSNCAMEN1KMT2A
SCHEMBL2859104 0.84 ATM (0.35) CHATSNCAMEN1KMT2AMAPT
SCHEMBL15892495 0.83 AKR1C3 (0.39) PDK2STK10SLKMEN1KMT2A

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-2014157599-A1 LIGHT-EMITTING ELEMENT, COMPOUND, ORGANIC COMPOUND, DISPLAY MODULE, LIGHTING MODULE, LIGHT-EMITTING DEVICE, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-10-02 — — WO disclosed
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