SCHEMBL7439129

SCHEMBL7439129

COC(=O)c1cccc(-c2nnn(CC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.40
MMP8 P22894 1/20 0.40
CASP1 P29466 2/20 0.40
POLB P06746 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL7442251 0.94 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7440422 0.92 CYP1A2 (0.52) SMN1; SMN2LMNAALDH1A1HTTCYP1A2
SCHEMBL7431018 0.92 CYP1A2 (0.51) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7437906 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7438698 0.91 CYP1A2 (0.58) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7434939 0.90 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7437630 0.89 CYP1A2 (0.56) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7427204 0.89 LMNA (0.44) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7437870 0.88 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7445776 0.87 CYP1A2 (0.46) SMN1; SMN2LMNAALDH1A1HTTTDP1

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