SCHEMBL7684625

SCHEMBL7684625

O=C(O)CC(NC(=O)SCCc1ccc(O)cc1)C(=O)Cn1nnc(Sc2c(Cl)cccc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.34
CASP3 P42574 1/20 0.34
IDO1 P14902 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
TP53 P04637 1/20 0.31
USP2 O75604 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CTSA P10619 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
SCHEMBL7675970 0.95 CASP1 (0.36) CASP1CASP3TP53USP2HDAC3
SCHEMBL7680229 0.90 SMN1; SMN2 (0.39) IDO1CTSAMEN1KMT2A
SCHEMBL7686237 0.90 RAB9A (0.35) CASP3ITGB1ITGA4TP53MEN1
SCHEMBL7678033 0.89 CASP1 (0.36) CASP1CASP3TP53USP2HDAC3
SCHEMBL8177147 0.88 MEN1 (0.34) MEN1KMT2A
SCHEMBL7678054 0.88 USP2 (0.35) CASP1CASP3TP53USP2HDAC3
SCHEMBL7679637 0.87 MAPT (0.34) CASP3TP53CTSAMEN1KMT2A
SCHEMBL7681039 0.87 CASP1 (0.36) CASP1CASP3TP53CTSAMEN1
SCHEMBL7675668 0.87 CASP1 (0.40) CASP1CASP3
SCHEMBL7679529 0.86 TP53 (0.36) CASP1CASP3TP53USP2HDAC3

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