SCHEMBL7444957

SCHEMBL7444957

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP13 P45452 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL7433069 0.91 TDP1 (0.39) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7437909 0.91 SMN1; SMN2 (0.43) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7492072 0.86 LNPEP (0.39) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7442267 0.86 SMN1; SMN2 (0.46) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7439136 0.85 SMN1; SMN2 (0.48) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7429538 0.85 TDP1 (0.40) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7438701 0.84 CYP1A2 (0.48) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7439108 0.82 CYP1A2 (0.41) TDP1HTTSMN1; SMN2MAPTXBP1
SCHEMBL7431022 0.82 CYP1A2 (0.47) TDP1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7440427 0.79 SMN1; SMN2 (0.44) TDP1HTTSMN1; SMN2ALDH1A1LMNA

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