SCHEMBL7438437

SCHEMBL7438437

O=C(O)CC(NC(=O)SCCCc1ccccc1)C(=O)Cn1nnnc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CASP1 P29466 4/20 0.38
DOT1L Q8TEK3 1/20 0.36
LMNA P02545 1/20 0.35
CASP3 P42574 3/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 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
SCHEMBL7438139 0.89 P2RX7 (0.36) P2RX7SLC6A2SLC6A4SLC6A3DOT1L
SCHEMBL7434829 0.86 P2RX7 (0.40) P2RX7SLC6A2SLC6A4SLC6A3CASP1
SCHEMBL7684425 0.84 CASP1 (0.38) CASP1DOT1LCASP3MEN1ALDH1A1
SCHEMBL7432370 0.82 HPGD (0.48) CASP1LMNAMEN1ALDH1A1KMT2A
SCHEMBL7677059 0.80 ALDH1A1 (0.38) CASP1LMNACASP3MEN1ALDH1A1
SCHEMBL7682128 0.80 ALDH1A1 (0.38) CASP1LMNACASP3MEN1ALDH1A1
SCHEMBL7684400 0.80 CASP1 (0.39) P2RX7CASP1DOT1LCASP3MEN1
SCHEMBL7681897 0.77 ALDH1A1 (0.38) P2RX7CASP1LMNACASP3MEN1
SCHEMBL7678219 0.77 ALDH1A1 (0.36) LMNACASP3MEN1ALDH1A1KMT2A
SCHEMBL7439400 0.77 CASP1 (0.48) P2RX7SLC6A2SLC6A4SLC6A3CASP1

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