SCHEMBL7434829

SCHEMBL7434829

O=C(O)CC(NC(=S)CCCc1ccccc1)C(=O)Cn1nnnc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
CASP3 P42574 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CASP1 P29466 3/20 0.38
LMNA P02545 1/20 0.37
DOT1L Q8TEK3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MME P08473 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL7438437 0.86 P2RX7 (0.40) P2RX7CASP3SLC6A2SLC6A4SLC6A3
SCHEMBL7436751 0.82 RAB9A (0.48) CASP3CASP1LMNASMN1; SMN2
SCHEMBL7439400 0.78 CASP1 (0.48) P2RX7CASP3SLC6A2SLC6A4SLC6A3
SCHEMBL7438139 0.76 P2RX7 (0.36) P2RX7SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9170587 0.73 P2RX7 (0.55) P2RX7SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7437226 0.72 CASP3 (0.49) CASP3CASP1
SCHEMBL7434554 0.72 CASP1 (0.52) CASP1
SCHEMBL7437562 0.72 CASP1 (0.55) CASP3CASP1
SCHEMBL7684425 0.71 CASP1 (0.38) CASP3CASP1DOT1L
SCHEMBL7440546 0.70 CASP1 (0.49) CASP3CASP1

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 claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed