SCHEMBL8977541

SCHEMBL8977541

Cc1cn(S(=O)(=O)N(C)C)c([Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 4/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 2/20 0.33
OGG1 O15527 1/20 0.33
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL224515 0.84 KDM4E (0.30) GAAKDM4E
SCHEMBL2104237 0.83 KDM4E (0.31) GAAKDM4ETSHR
SCHEMBL13053102 0.79 SORD (0.33)
SCHEMBL7258032 0.74 CA12 (0.32)
SCHEMBL22075884 0.74 TSHR (0.35) TSHRSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9436798 0.74
SCHEMBL226223 0.73 KDM4E (0.36) GAAKDM4ETSHRHTTSMN1; SMN2
SCHEMBL2103475 0.72 TSHR (0.33) TSHR
SCHEMBL4610394 0.72 HPSE (0.35) TSHRKMT2AALDH1A1
SCHEMBL12178890 0.69 KDM4E (0.37) GAAKDM4ETSHRHTTSMN1; SMN2

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-5543526-A 1-amino-4-(1H-imidazole)- aminobutaneboronic acid derivatives, their preparation and use as synthetic intermediates SYNTHELABO (FR) 1996-08-06 US disclosed
EP-0677525-A1 Aminoboronic acid derivatives, their preparation as intermediates in syntheses SYNTHELABO (FR) 1995-10-18 EP disclosed