SCHEMBL6942595

SCHEMBL6942595

COC(=O)c1cn([C@H](CCn2cc(C)c3ccccc32)CO[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADA P00813 7/20 0.34
TRPM5 Q9NZQ8 3/20 0.34
NR4A2 P43354 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 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
SCHEMBL6939120 0.91 MEN1 (0.38) MEN1KMT2AMAPTADANPC1
SCHEMBL6942598 0.83 LMNA (0.39) MEN1KMT2ALMNATSHRL3MBTL1
SCHEMBL6939003 0.77 ADA (0.41) ADA
SCHEMBL6938174 0.76 TK1 (0.40) MEN1KMT2ALMNAMAPTTRPM5
SCHEMBL6938178 0.76 TK1 (0.40) MEN1KMT2ALMNAMAPTTRPM5
SCHEMBL6936180 0.76 ADA (0.58) ADA
SCHEMBL6933483 0.76 ADA (0.56) ADA
SCHEMBL6941946 0.75 ADA (0.60) ADA
SCHEMBL6941531 0.74 ADA (0.66) ADA
SCHEMBL6940900 0.74 ADA (0.45) ADA

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed