SCHEMBL7429531

SCHEMBL7429531

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.39
ECE1 P42892 1/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP3 P42574 1/20 0.36
HPGDS O60760 1/20 0.36
TSHR P16473 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
SCHEMBL7434573 0.93 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL7492068 0.92 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7495339 0.92 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7444952 0.92 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7436931 0.91 CASP1 (0.48) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7437906 0.89 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL8695580 0.89 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TP53CASP1
SCHEMBL7442251 0.88 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7439129 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL7431018 0.86 CYP1A2 (0.51) 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