SCHEMBL20664729

SCHEMBL20664729

CC(C)(C)NC(=O)n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.56
GAA P10253 10/20 0.54
MGAM O43451 9/20 0.54
AMY1A P0DUB6 9/20 0.54
SI P14410 9/20 0.54
MGAM2 Q2M2H8 9/20 0.54
KMT2A Q03164 3/20 0.54
F2 P00734 2/20 0.54
HPGD P15428 1/20 0.54
SLC9A1 P19634 1/20 0.54
DGAT1 O75907 1/20 0.51
MAPT P10636 2/20 0.50
KCNMA1 Q12791 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
F12 P00748 6/20 0.49
MIF P14174 1/20 0.49
MGLL Q99685 1/20 0.48

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
SCHEMBL21183226 0.82 ASAH1 (0.51) ASAH1GAAMGAMAMY1ASI
SCHEMBL17875212 0.82 ASAH1 (0.59) ASAH1GAAMGAMAMY1ASI
SCHEMBL9419551 0.79 MGAM (0.58) ASAH1GAAMGAMAMY1ASI
SCHEMBL535509 0.79 GAA (0.58) ASAH1GAAMGAMAMY1ASI
SCHEMBL20150832 0.78 ASAH1 (0.71) ASAH1GAAMGAMAMY1ASI
SCHEMBL22101596 0.78 ASAH1 (0.56) ASAH1GAAMGAMAMY1ASI
SCHEMBL17994056 0.78 GAA (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL20156704 0.76 ASAH1 (0.51) ASAH1GAAMGAMAMY1ASI
SCHEMBL535054 0.76 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL6402628 0.76 GAA (0.55) GAAMGAMAMY1ASIMGAM2

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
EP-3431552-B1 ADDITION-CURABLE SILICONE RUBBER COMPOSITION AND CURED PRODUCT SHINETSU CHEMICAL CO (JP) 2020-11-18 EP disclosed
EP-3309219-B1 ADDITION-CURABLE SILICONE RUBBER COMPOSITION AND CURED PRODUCT SHINETSU CHEMICAL CO (JP) 2019-07-24 EP disclosed
EP-3431552-A1 ADDITION-CURABLE SILICONE RUBBER COMPOSITION AND CURED PRODUCT Shin-Etsu Chemical Co., Ltd. (JP) 2019-01-23 EP disclosed