SCHEMBL7437909

SCHEMBL7437909

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SLC7A5 Q01650 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
MMP13 P45452 2/20 0.35
LTA4H P09960 2/20 0.35
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7442267 0.92 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7439136 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7433069 0.91 TDP1 (0.39) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7439108 0.91 CYP1A2 (0.41) SMN1; SMN2TDP1HTTSLC7A5CYP1A2
SCHEMBL7444957 0.91 TDP1 (0.39) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7492072 0.91 LNPEP (0.39) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7438701 0.89 CYP1A2 (0.48) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7429538 0.89 TDP1 (0.40) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7431022 0.88 CYP1A2 (0.47) SMN1; SMN2TDP1ALDH1A1LMNAHTT
SCHEMBL7440427 0.85 SMN1; SMN2 (0.44) SMN1; SMN2TDP1ALDH1A1LMNAHTT

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