SCHEMBL7439136

SCHEMBL7439136

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC7A5 Q01650 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
GRM5 P41594 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
LTA4H P09960 2/20 0.35
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL7442267 0.93 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7440427 0.92 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7437909 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7438701 0.90 CYP1A2 (0.48) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7431022 0.88 CYP1A2 (0.47) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7437873 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7429538 0.87 TDP1 (0.40) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7433069 0.86 TDP1 (0.39) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7444957 0.85 TDP1 (0.39) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL7492072 0.85 LNPEP (0.39) SMN1; SMN2ALDH1A1HTTLMNATDP1

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