SCHEMBL7681872

SCHEMBL7681872

O=C(O)CC(NS(=O)(=O)c1ccc(N2CCCC2)cc1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP3 P08254 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GFER P55789 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7686366 0.94 POLB (0.40) ALDH1A1MAPTHTTITGB3ITGA2B
SCHEMBL7684963 0.89 ALDH1A1 (0.37) ALDH1A1LMNAITGB3RECQLNPSR1
SCHEMBL7682657 0.87 LMNA (0.38) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL7684335 0.85 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL7680377 0.85 ALDH1A1 (0.42) ALDH1A1MAPTLMNARECQLNPSR1
SCHEMBL7679508 0.85 MMP13 (0.38) ALDH1A1LMNARECQLNPSR1MMP8
SCHEMBL7680120 0.83 S1PR1 (0.39) ALDH1A1L3MBTL1LMNARECQLNPSR1
SCHEMBL7684936 0.83 MMP13 (0.43) ALDH1A1MAPTHTTLMNARECQL
SCHEMBL7683248 0.80 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1
SCHEMBL7679510 0.77 TRPV1 (0.34) MAPTMMP8MMP2

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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 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