SCHEMBL9759577

SCHEMBL9759577

COC(OC)[SiH2]CCCNc1cc(N)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.39
KAT2B Q92831 1/20 0.36
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
CASP1 P29466 1/20 0.32
DHFR P00374 1/20 0.31
NSD2 O96028 1/20 0.31
CASP6 P55212 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PTGER4 P35408 1/20 0.30
HTT P42858 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
SCHEMBL9759455 0.78 HDAC6 (0.52) KAT2BALDH1A1HDAC6MAPTPTGER4
SCHEMBL9759870 0.78 ALDH1A1 (0.39) ALDH1A1CASP1MAPTLMNAHTT
SCHEMBL9759837 0.78 HDAC6 (0.40) KAT2BGUCY1A1GUCY1B1HDAC1HDAC6
SCHEMBL4450289 0.76 NQO2 (0.42) NQO2KAT2BGUCY1A1GUCY1B1ALDH1A1
SCHEMBL9759498 0.76 CYP3A4 (0.34) KAT2BALDH1A1HDAC6MAPTPTGER4
SCHEMBL9759574 0.75 NQO2 (0.41) NQO2KAT2BGUCY1A1GUCY1B1ALDH1A1
SCHEMBL7136500 0.75 KAT2B (0.57) NQO2KAT2BGUCY1A1GUCY1B1ALDH1A1
SCHEMBL28030459 0.75 TLR8 (0.46) NQO2KAT2BGUCY1A1GUCY1B1ALDH1A1
SCHEMBL13015196 0.73 PTGER4 (0.47) NQO2ALDH1A1CASP1MAPTLMNA
SCHEMBL11442397 0.71 ALDH1A1 (0.45) NQO2KAT2BGUCY1A1GUCY1B1ALDH1A1

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
US-4997860-A Amino-substituted silanediol or silanetriol TOSHIBA SILICONE CO., LTD. (JP) 1991-03-05 US claimed
US-4997860-A Amino-substituted silanediol or silanetriol TOSHIBA SILICONE CO., LTD. (JP) 1991-03-05 US disclosed