SCHEMBL7684400

SCHEMBL7684400

O=C(O)CC(NC(=O)SCCc1ccccc1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.39
CASP3 P42574 4/20 0.35
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
STAT5B P51692 1/20 0.33
FFAR1 O14842 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7684425 0.96 CASP1 (0.38) CASP1CASP3KDM4CMEN1ALDH1A1
SCHEMBL7684215 0.92 CASP1 (0.40) CASP1CASP3KDM4CALDH1A1DOT1L
SCHEMBL8171972 0.89 ALDH1A1 (0.39) CASP1MEN1ALDH1A1KMT2ATRPV1
SCHEMBL7680016 0.86 CASP1 (0.48) CASP1CASP3KDM4C
SCHEMBL7686569 0.84 CASP1 (0.47) CASP1CASP3
SCHEMBL7683292 0.84 CASP1 (0.58) CASP1CASP3
SCHEMBL7677059 0.84 ALDH1A1 (0.38) CASP1CASP3MEN1ALDH1A1KMT2A
SCHEMBL7687230 0.84 HDAC1 (0.39) CASP1CASP3KDM4CMEN1ALDH1A1
SCHEMBL7686951 0.84 CASP1 (0.46) CASP1CASP3
SCHEMBL7675679 0.82 CASP1 (0.38) CASP1CASP3MEN1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed