SCHEMBL9540295

SCHEMBL9540295

COc1ccccc1-c1c(C)ccc([Si](C)(C)C)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
HSD17B10 Q99714 6/20 0.43
MAP2 P11137 2/20 0.41
SLC9A1 P19634 2/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CDC7 O00311 1/20 0.39

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
SCHEMBL9540301 0.84 IKBKB (0.46) IKBKBHSD17B10MAP2SLC9A1PARP1
SCHEMBL4117320 0.73 MYC (0.54) IKBKBMAP2PARP1ALDH1A1HPGD
SCHEMBL16487050 0.71 IKBKB (0.44) IKBKBHSD17B10PARP1ALDH1A1HPGD
SCHEMBL16487053 0.70 FYN (0.47) IKBKBHSD17B10SLC9A1PARP1ALDH1A1
SCHEMBL9540309 0.69 GAA (0.42) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1133437 0.69 APP (0.55) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1397420 0.68 CA12 (0.57) HSD17B10ALDH1A1KDM4ETDP1MAPT
SCHEMBL31547611 0.68 CA12 (0.57) HSD17B10ALDH1A1KDM4ETDP1MAPT
SCHEMBL27751062 0.68 GPR35 (0.49) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL4594474 0.68 MAPT (0.51) IKBKBALDH1A1KDM4ETDP1RAB9A

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