SCHEMBL7429538

SCHEMBL7429538

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LNPEP Q9UIQ6 5/20 0.39
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 1/20 0.39
POLB P06746 2/20 0.36
HPGDS O60760 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL7492072 0.93 LNPEP (0.39) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7434576 0.92 LNPEP (0.38) TDP1HTTSMN1; SMN2LNPEPERAP2
SCHEMBL7437909 0.89 SMN1; SMN2 (0.43) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7442267 0.87 SMN1; SMN2 (0.46) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8695584 0.87 KCNA5 (0.36) TDP1LNPEPERAP2ERAP1POLB
SCHEMBL7439136 0.87 SMN1; SMN2 (0.48) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7436532 0.85 LNPEP (0.39) TDP1LNPEPERAP2ERAP1POLB
SCHEMBL7438701 0.85 CYP1A2 (0.48) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7444957 0.85 TDP1 (0.39) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7433069 0.84 TDP1 (0.39) TDP1ALDH1A1LMNAHTTSMN1; SMN2

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