SCHEMBL7676718

SCHEMBL7676718

O=C(O)CC(NS(=O)(=O)c1cccc2nonc12)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
ACLY P53396 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.87 ITGAV (0.43) ALDH1A1HTT
SCHEMBL7681962 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL7684007 0.85 CASP1 (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7679356 0.85 GAA (0.41) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7687226 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL7677159 0.84 CASP1 (0.41)
SCHEMBL7679385 0.84 POLB (0.39) MAPTPOLB
SCHEMBL7678024 0.84 CNR2 (0.40) ALDH1A1
SCHEMBL7682355 0.84 CASP1 (0.40) TSHR
SCHEMBL7686355 0.82 MMP9 (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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