SCHEMBL28062832

SCHEMBL28062832

CCCC[Si](OCC)(OCC)c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
EGFR P00533 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
FBP1 P09467 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
GAA P10253 1/20 0.33
OGG1 O15527 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL28062856 0.89 EGFR (0.38) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1
SCHEMBL28062801 0.89 EGFR (0.41) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1
SCHEMBL28062830 0.86 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1
SCHEMBL17937666 0.84 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1
SCHEMBL17937733 0.83 ALDH1A1 (0.39) EGFRL3MBTL1ALDH1A1HPGDFBP1
SCHEMBL28062711 0.81 KMT2A (0.39) ALDH1A1HPGDIDO1AGXT
SCHEMBL28062911 0.80 MGLL (0.36) CYP1A2CYP2D6CYP2C19L3MBTL1ALDH1A1
SCHEMBL703455 0.80 LTA4H (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL8723550 0.78 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1
SCHEMBL28062925 0.78 EGFR (0.41) CYP1A2CYP2D6CYP2C19EGFRL3MBTL1

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-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed