SCHEMBL8665893

SCHEMBL8665893

C[Si](C)(C)c1ccccc1NCCNc1ccccc1[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
HTR1A P08908 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
GAA P10253 2/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM2 P08172 1/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL26596768 0.78 MEN1 (0.37) MAPTHTTGAAKDM4EGLA
SCHEMBL5795074 0.76
SCHEMBL11016637 0.74 IDO1 (0.35) ALDH1A1RECQLHPGDIDO1
SCHEMBL3780486 0.74 ALDH1A1 (0.32) HTTALDH1A1
SCHEMBL11016745 0.71 FLT1 (0.32) KDM4EHSD17B10TSHR
SCHEMBL29726936 0.71 IDO1 (0.41) MAPTCA12CA4CA7CA9
SCHEMBL1880902 0.71 IDO1 (0.41) MAPTCA12CA4CA7CA9
SCHEMBL6201094 0.69 MAPT (0.52) MAPTHTTCA12CA4CA7
SCHEMBL76608 0.69 MAPT (1.00) MAPTHTTHTR1AADRA1DADRA1A
SCHEMBL29379717 0.69 MAPT (1.00) MAPTHTTHTR1AADRA1DADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10324689-A None JP disclosed
JP-H10324689-A SILICON-CONTAINING ALFA-DIIMINE COMPOUND SHIN ETSU CHEM CO LTD 1998-12-08 JP disclosed