SCHEMBL9759837

SCHEMBL9759837

COC(OC)[SiH2]CCCNc1cc(C)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
KAT2B Q92831 3/20 0.36
HTR1A P08908 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
PTGER4 P35408 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
QPCT Q16769 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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 0.89 HDAC6 (0.52) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL9759577 0.78 NQO2 (0.39) HDAC6KAT2BGUCY1A1GUCY1B1HDAC1
SCHEMBL9759498 0.78 CYP3A4 (0.34) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL8317776 0.77 PTGER4 (0.51) HDAC6KAT2BHDAC3HDAC1PTGER4
SCHEMBL9759870 0.76 ALDH1A1 (0.39) CYP3A4ALOX15TDP1LMNAHTT
SCHEMBL9759830 0.75 HDAC6 (0.42) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL7136396 0.75 KAT2B (0.57) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL2344181 0.75 HDAC6 (0.49) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL21841848 0.73 HDAC6 (0.48) HDAC6KAT2BHTR1AADRA1DADRA1A
SCHEMBL14616763 0.73 PTGER4 (0.50) HDAC6HTR1AADRA1DADRA1AADRA1B

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