SCHEMBL6942598

SCHEMBL6942598

COC(=O)c1cn([C@@H](CCCn2cc(C)c3ccccc32)O[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR4A2 P43354 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TERT O14746 1/20 0.35
GAA P10253 2/20 0.35
CNR2 P34972 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL6939865 0.91 MEN1 (0.38) TSHRL3MBTL1MEN1KMT2AMAPT
SCHEMBL6942595 0.83 MEN1 (0.38) LMNATSHRL3MBTL1MEN1KMT2A
SCHEMBL6933245 0.80 ADA (0.38)
SCHEMBL6941950 0.76 ADA (0.53) NPC1RAB9A
SCHEMBL6933487 0.76 ADA (0.49)
SCHEMBL6940904 0.74 ADA (0.42) MEN1KMT2A
SCHEMBL6939120 0.74 MEN1 (0.38) MEN1KMT2AMAPTGAANPC1
SCHEMBL6935339 0.73 ADA (0.51) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6936185 0.72 ADA (0.46) MEN1KMT2ACNR1TERTTRPM5
SCHEMBL6171963 0.71 ADA (0.46)

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