SCHEMBL7437870

SCHEMBL7437870

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2cccc(C(=O)OCc3nccs3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 12/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7442955 0.91 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7439129 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7442251 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7431018 0.85 CYP1A2 (0.51) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7437906 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7438698 0.84 CYP1A2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7437630 0.82 CYP1A2 (0.56) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7427204 0.81 LMNA (0.44) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7440422 0.80 CYP1A2 (0.52) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL7437873 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTTDP1

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-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed