SCHEMBL8129274

SCHEMBL8129274

COC(=O)C1(NS(=O)(=O)c2ccc(CC3(C)N=c4ccccc4=N3)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.42
MMP1 P03956 12/20 0.41
MMP13 P45452 12/20 0.41
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MMP9 P14780 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
SCHEMBL27618200 0.78 MMP1 (0.46) ADAM17MMP1MMP13USP2HTT
SCHEMBL643982 0.77 MMP1 (0.55) MMP1MMP13USP2HTTSMN1; SMN2
SCHEMBL8129273 0.75 PTAFR (0.52) ADAM17
SCHEMBL9673430 0.73 SMN1; SMN2 (0.52) HTTSMN1; SMN2
SCHEMBL8137542 0.73 MMP1 (0.55) MMP1MMP13SMN1; SMN2MMP9
SCHEMBL5678202 0.72 MMP1 (0.50) ADAM17MMP1MMP13HTTEGFR
SCHEMBL8577734 0.72 PLAU (0.37) ADAM17MMP1MMP13PLAUPLAT
SCHEMBL8134454 0.72 GAA (0.47) MMP1MMP13MMP9
SCHEMBL9670882 0.71 CA2 (0.48) SMN1; SMN2
SCHEMBL12418064 0.70 MMP1 (0.47) MMP1MMP13USP2HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP claimed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP claimed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO claimed
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP disclosed
US-5451676-A Treatment of hypotension and bronchoconstriction BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-09-19 US disclosed
US-5274094-A Diseases or conditions mediated by platelet-activating factor; cyclization of a diamino compound with a carboxylic acid BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-12-28 US disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed
US-5200412-A Antiinflammatory agents and antiallergens BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-04-06 US disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed