SCHEMBL7684039

SCHEMBL7684039

COc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)Cn2nnc(Cc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.42
MMP9 P14780 9/20 0.42
MMP13 P45452 7/20 0.42
MMP3 P08254 5/20 0.42
MMP1 P03956 4/20 0.42
MMP8 P22894 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL7685476 0.92 MMP2 (0.42) MMP2MMP9MMP13MMP3MAPT
SCHEMBL7679666 0.91 MMP9 (0.43) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7686355 0.90 MMP9 (0.44) MMP2MMP9MMP13MMP8CNR2
SCHEMBL7683595 0.90 MMP2 (0.44) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7678024 0.90 CNR2 (0.40) MMP2MMP9MMP13MMP8LMNA
SCHEMBL7680424 0.90 MMP13 (0.45) MMP2MMP9MMP13MMP3MMP8
SCHEMBL7686256 0.90 MMP9 (0.40) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7686108 0.89 MMP2 (0.42) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7687017 0.89 MMP2 (0.39) MMP2MMP9MMP13MMP8LMNA
SCHEMBL7682261 0.89 ALDH1A1 (0.37) MMP2MMP9MMP13MMP3MMP1

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