SCHEMBL4448185

SCHEMBL4448185

C[Si](C)(c1cccc2c1C=C1C2=Nc2ccccc21)c1cccc2c1C=C1C2=Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HK1 P19367 1/20 0.30
GALK1 P51570 1/20 0.30
KMT2A Q03164 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4448189 0.81
SCHEMBL28246158 0.80 ABCG2 (0.40) ABCG2IDO1KDM4EMEN1APAF1
SCHEMBL1820364 0.77 ABCG2 (0.40) ABCG2IDO1KDM4EMEN1APAF1
SCHEMBL4313632 0.77 ABCG2 (0.40) ABCG2IDO1KDM4EMEN1APAF1
SCHEMBL1899426 0.77 ABCG2 (0.40) ABCG2IDO1KDM4EMEN1APAF1
Hydrochloric Acid SCHEMBL4458471 0.75 ABCG2 (0.39) ABCG2IDO1KDM4EMEN1APAF1
Hydrochloric Acid SCHEMBL4458472 0.75 ABCG2 (0.39) ABCG2IDO1KDM4EMEN1APAF1
SCHEMBL9844740 0.74 ABCG2 (0.35) ABCG2IDO1
SCHEMBL2955393 0.73 ABCG2 (0.35) ABCG2IDO1
SCHEMBL9738584 0.70 ABCG2 (0.34) ABCG2IDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567561-B1 BIMETALLIC INDENOINDOLYL CATALYSTS EQUISTAR CHEM LP (US) 2009-05-27 EP disclosed
EP-1567561-A1 BIMETALLIC INDENOINDOLYL CATALYSTS Equistar Chemicals, LP (US) 2005-08-31 EP disclosed
US-6841500-B2 Bimetallic indenoindolyl catalysts EQUISTAR CHEMICALS, LP (US) 2005-01-11 US disclosed
WO-2004050718-A1 BIMETALLIC INDENOINDOLYL CATALYSTS EQUISTAR CHEMICALS, LP (US) 2004-06-17 WO disclosed
US-20040106514-A1 Bimetallic indenoindolyl catalysts EQUISTAR CHEMICALS, LP 2004-06-03 US disclosed