SCHEMBL28062848

SCHEMBL28062848

CCCC[Si](CCCC)(OCCC)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31

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
SCHEMBL17937670 0.93 MGLL (0.38) MGLLNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL705077 0.91 AR (0.37) CYP2D6ARNR1H2NR1H3
SCHEMBL28827560 0.89 MAPT (0.32) MGLLNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17937849 0.88 MGLL (0.36) MGLLNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17937683 0.86 MGLL (0.38) MGLLNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28062913 0.84 MAPT (0.33) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL707158 0.83 AR (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL28062793 0.83 MGLL (0.35) MGLLNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28062938 0.83 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17937830 0.82 MGLL (0.36) MGLLNPC1RAB9ASMN1; SMN2MAPK1

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