SCHEMBL28062865

SCHEMBL28062865

CC(C)(C)O[SiH2]c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
PYCR1 P32322 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL2950779 0.86
SCHEMBL28062816 0.84 RIPK1 (0.39) ALDH1A1MAPK1RIPK1IDO1AGXT
SCHEMBL28062748 0.77 ALDH1A1 (0.34) ALDH1A1RIPK1IDO1AGXTSMN1; SMN2
SCHEMBL27959494 0.77 ACHE (0.39) ALDH1A1RIPK1IDO1AGXTTAAR1
SCHEMBL28062733 0.75 CYP2A6 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL715568 0.74 MAPK1 (0.37) ALDH1A1MAPK1TAAR1
SCHEMBL8723539 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1RIPK1IDO1AGXT
SCHEMBL23493467 0.73 TP53 (0.44) ALDH1A1
SCHEMBL23493432 0.72 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL704585 0.71

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