SCHEMBL20100976

SCHEMBL20100976

C=CCC1(CC=C)c2cc(C)ccc2-c2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
S100A4 P26447 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
AGTR1 P30556 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
TGM2 P21980 1/20 0.30
CES1 P23141 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1571002 0.90 PDK2 (0.38) PDK2ALDH1A1S100A4LMNATGM2
SCHEMBL26084831 0.84 PDK2 (0.34) PDK2
SCHEMBL1809551 0.83 PDK2 (0.46) PDK2ALDH1A1CCNB2CDK1CCNB1
SCHEMBL16283698 0.82 PDK2 (0.30) PDK2
SCHEMBL5140625 0.82 ESR1 (0.30) PDK2
SCHEMBL6019476 0.81 PDK2 (0.37) PDK2LMNACES1HPGD
SCHEMBL1928517 0.81 PDK2 (0.33) PDK2
SCHEMBL14422055 0.81 PDK2 (0.33) PDK2
SCHEMBL1926884 0.76 TGM2 (0.35) ALDH1A1S100A4LMNAMAPTTGM2
SCHEMBL16656146 0.76 ALDH1A1 (0.42) PDK2ALDH1A1MAPK1S100A4AGTR1

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-11784305-B2 Negative electrode including silicon nanoparticles having a carbon coating thereon GM Global Technology Operations LLC (US) 2023-10-10 US disclosed
US-20180123124-A1 NEGATIVE ELECTRODE INCLUDING SILICON NANOPARTICLES HAVING A CARBON COATING THEREON GM Global Technology Operations LLC 2018-05-03 US disclosed