SCHEMBL6939865

SCHEMBL6939865

Cc1cn(CCC[C@@H](O[Si](C)(C)C(C)(C)C)n2cnc(C(=O)O)c2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.37
TERT O14746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 2/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
NR2F2 P24468 1/20 0.33
FABP4 P15090 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ACLY P53396 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
SCHEMBL6942598 0.91 LMNA (0.39) MEN1KMT2AALDH1A1TERTSMN1; SMN2
SCHEMBL6939120 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1MCL1MAPT
SCHEMBL6933245 0.81 ADA (0.38)
SCHEMBL6171963 0.80 ADA (0.46)
SCHEMBL6941950 0.77 ADA (0.53) NPC1RAB9A
SCHEMBL6933487 0.77 ADA (0.49)
SCHEMBL6935339 0.74 ADA (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL6942595 0.74 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL6940904 0.74 ADA (0.42) MEN1KMT2A
SCHEMBL6936185 0.73 ADA (0.46) MEN1KMT2ATERTTRPM5

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 3 patents. 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
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed