SCHEMBL9540301

SCHEMBL9540301

COc1ccccc1-c1ccc([Si](C)(C)C)c(C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
SLC9A1 P19634 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HSD17B10 Q99714 4/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC7 O00311 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP2 P11137 1/20 0.36
PKMYT1 Q99640 1/20 0.36

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
SCHEMBL9540295 0.84 IKBKB (0.46) IKBKBSLC9A1HSD17B10PARP1ALDH1A1
SCHEMBL6281119 0.76 MAPK8 (0.50) IKBKBAKR1C3AKR1C2PARP1ALDH1A1
SCHEMBL4117324 0.74 PARP1 (0.54) IKBKBPARP1ALDH1A1HPGDCDC7
SCHEMBL16487053 0.73 FYN (0.47) IKBKBSLC9A1AKR1C3AKR1C2HSD17B10
SCHEMBL9540309 0.72 GAA (0.42) HSD17B10ALDH1A1HPGDKDM4EKMT2A
SCHEMBL4594474 0.70 MAPT (0.51) IKBKBAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL527995 0.70 PARP1 (0.56) IKBKBSLC9A1HSD17B10PARP1ALDH1A1
SCHEMBL3828355 0.69 IKBKB (0.60) IKBKBSLC9A1HSD17B10ALDH1A1HPGD
SCHEMBL17261796 0.69 IKBKB (0.53) IKBKBSLC9A1HSD17B10PARP1ALDH1A1
SCHEMBL16487050 0.69 IKBKB (0.44) IKBKBHSD17B10PARP1ALDH1A1HPGD

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
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed