SCHEMBL7683248

SCHEMBL7683248

O=C(O)CC(NS(=O)(=O)c1ccccc1F)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ITGAV P06756 2/20 0.35
DOT1L Q8TEK3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP9 P55211 1/20 0.33
CASP8 Q14790 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPK1 P28482 1/20 0.32
KAT6A Q92794 1/20 0.32

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
SCHEMBL7684963 0.88 ALDH1A1 (0.37) ALDH1A1ITGAVDOT1LKDM4CCASP1
SCHEMBL7684423 0.84 EDNRA (0.41)
SCHEMBL7679508 0.83 MMP13 (0.38) ALDH1A1DOT1LKDM4CTRPV1
SCHEMBL7680377 0.83 ALDH1A1 (0.42) ALDH1A1MAPTTRPV1
SCHEMBL7687226 0.83 ALDH1A1 (0.39) ALDH1A1ITGAVPTGDR2POLBMAPT
SCHEMBL7682657 0.83 LMNA (0.38) ALDH1A1DOT1LMAPT
SCHEMBL7679510 0.82 TRPV1 (0.34) DOT1LMAPTKDM4CCASP1TRPV1
SCHEMBL7684335 0.81 SMN1; SMN2 (0.42) ALDH1A1DOT1LPOLBMAPT
SCHEMBL7680284 0.80 CASP1 (0.40) ALDH1A1DOT1LKDM4CCASP1TRPV1
SCHEMBL7681872 0.80 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1

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