SCHEMBL7686530

SCHEMBL7686530

O=C(O)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.40
RORC P51449 2/20 0.40
MAPT P10636 2/20 0.37
PTGES O14684 1/20 0.37
ITGAV P06756 3/20 0.35
CNR2 P34972 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
ITGB3 P05106 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 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
SCHEMBL7680008 0.91 ITGAV (0.43) ITGAVCNR2NPC1HPGDRAB9A
SCHEMBL7687226 0.89 ALDH1A1 (0.39) MAPTITGAVCNR2NPC1HPGD
SCHEMBL7684007 0.88 CASP1 (0.45) MAPTITGAVCNR2NPC1HPGD
SCHEMBL7679385 0.87 POLB (0.39) MAPTITGAVCNR2NPC1HPGD
SCHEMBL7677159 0.87 CASP1 (0.41) ITGAVCNR2ITGB3NPC1HPGD
SCHEMBL7678024 0.87 CNR2 (0.40) ITGAVCNR2ITGB3
SCHEMBL7686407 0.87 EEF2K (0.45) MMP7MAPTL3MBTL1
SCHEMBL7682355 0.87 CASP1 (0.40) ITGAVCNR2ITGB3
SCHEMBL7686355 0.85 MMP9 (0.44) CNR2
SCHEMBL7682575 0.85 ITGAV (0.43) MAPTITGAVCNR2ITGB3L3MBTL1

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