SCHEMBL7683470

SCHEMBL7683470

O=C(O)CC(NC(=O)c1cscn1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.36
MAPK10 P53779 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CNR2 P34972 2/20 0.35
CASP3 P42574 1/20 0.33
CASP1 P29466 1/20 0.33
GRM1 Q13255 1/20 0.32
MAP3K5 Q99683 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7679948 0.85 HDAC6 (0.42) CTSAHDAC6CNR2CASP3CASP1
SCHEMBL7680872 0.79 CASP1 (0.49) CNR2CASP3CASP1
SCHEMBL7682121 0.79 CASP1 (0.42) CNR2CASP3CASP1MEN1KMT2A
SCHEMBL7681033 0.78 CNR2 (0.40) HDAC6CNR2CASP3CASP1MEN1
SCHEMBL7683594 0.78 CNR2 (0.40) HDAC6CNR2CASP3CASP1
SCHEMBL7679388 0.78 CNR2 (0.40) CNR2CASP1MEN1KMT2A
SCHEMBL7686815 0.77 CASP3 (0.40) HDAC6CNR2CASP3CASP1MEN1
SCHEMBL7683929 0.77 CASP1 (0.58) CASP3CASP1
SCHEMBL7675812 0.77 CNR2 (0.40) HDAC6CNR2CASP3CASP1MEN1
SCHEMBL7686915 0.77 CASP1 (0.48) CASP1

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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 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