SCHEMBL7679529

SCHEMBL7679529

Cc1cc(Cl)c(Sc2nnn(CC(=O)C(CC(=O)O)NC(=O)SCCc3ccccc3)n2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CASP3 P42574 6/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
USP2 O75604 1/20 0.33
CTSA P10619 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL7686947 0.92 TP53 (0.37) TP53CASP3MEN1KMT2AKCNJ6
SCHEMBL7675970 0.91 CASP1 (0.36) TP53CASP3MEN1KMT2AUSP2
SCHEMBL7680236 0.91 TP53 (0.33) TP53CASP3MEN1KMT2AKCNJ6
SCHEMBL7678033 0.89 CASP1 (0.36) TP53CASP3USP2HDAC3HDAC4
SCHEMBL7678054 0.88 USP2 (0.35) TP53CASP3MEN1KMT2AUSP2
SCHEMBL7684625 0.86 CASP1 (0.34) TP53CASP3MEN1KMT2AUSP2
SCHEMBL7682343 0.86 CASP3 (0.47) CASP3CASP1
SCHEMBL7677914 0.86 USP2 (0.37) TP53CASP3MEN1KMT2AUSP2
SCHEMBL7680229 0.85 SMN1; SMN2 (0.39) MEN1KMT2ACTSASMN1; SMN2POLB
SCHEMBL7686237 0.85 RAB9A (0.35) TP53CASP3MEN1KMT2APOLB

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