SCHEMBL16433541

SCHEMBL16433541

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3)c(-c3ccc4c5ccccc5c5ccccc5c4c3)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ PDK2 Q15119 5/20 0.33
▸ STK10 O94804 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32
▸ SNCA P37840 2/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ CHAT P28329 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAP3K8 P41279 1/20 0.31
▸ MMP2 P08253 5/20 0.31
▸ MMP9 P14780 5/20 0.31
▸ MMP13 P45452 5/20 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
SCHEMBL28111740 0.89 STK10 (0.36) MAPKAPK2ALKPDK2STK10SLK
SCHEMBL16115803 0.87 PDK2 (0.35) ALKPDK2STK10SLKSNCA
SCHEMBL25263400 0.84 KDM4E (0.33) MAPKAPK2PTGER4KMT2AKDM4EATM
SCHEMBL29364556 0.84 KDM4E (0.33) MAPKAPK2PTGER4KMT2AKDM4EATM
SCHEMBL31647670 0.84 ALDH1A1 (0.36) PDK2STK10SLKPTGER4MEN1
SCHEMBL27933556 0.82 PDK2 (0.39) PDK2
SCHEMBL28547891 0.82 PDK2 (0.33) PDK2SNCACHATMEN1KMT2A
SCHEMBL2551825 0.81 ALDH1A1 (0.36) ALKPDK2SNCACHATMEN1
SCHEMBL20838554 0.81 KDM4E (0.34) PTGER4KDM4EATM
SCHEMBL16114616 0.80 ALOX5 (0.38) MAP3K8

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
US-8946695-B2 Compound, and organic light-emitting device using same LG CHEM, LTD. (KR) 2015-02-03 — — US disclosed
US-8946695-B2 Compound, and organic light-emitting device using same LG CHEM, LTD. (KR) 2015-02-03 — — US disclosed
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