SCHEMBL28062850

SCHEMBL28062850

CCO[Si](C)(OCC)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
TARBP2 Q15633 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
TP53 P04637 1/20 0.32
IDO1 P14902 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GBA1 P04062 1/20 0.31
NPC1 O15118 2/20 0.30
HPGD P15428 2/20 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
SCHEMBL707974 0.89 NQO1 (0.33)
SCHEMBL28062851 0.83 MAPT (0.33) CYP2A6LMNAMAPTMAPK1ALDH1A1
SCHEMBL17937792 0.83 CYP2A6 (0.35) CYP2A6TARBP2LMNAMAPTMEN1
SCHEMBL25168728 0.82 ESR1 (0.33) MEN1KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL28062702 0.80 MGLL (0.36) LMNAMAPTMAPK1TP53L3MBTL1
SCHEMBL1306141 0.80 CYP2A6 (0.36) CYP2A6TARBP2LMNAMAPTMEN1
SCHEMBL12458732 0.80
SCHEMBL12458718 0.80
SCHEMBL3482055 0.80 ACHE (0.36) TARBP2LMNAMAPTMEN1KMT2A
SCHEMBL3482149 0.78 TP53 (0.37) CYP2A6MAPK1ALDH1A1TP53L3MBTL1

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