SCHEMBL8129273

SCHEMBL8129273

COC(=O)C1(NS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
TNF P01375 1/20 0.46
ADAM17 P78536 3/20 0.46
ALDH1A1 P00352 1/20 0.46
EDNRA P25101 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL8129105 0.77 HDAC1 (0.56) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8131553 0.76 HDAC1 (0.54) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9302296 0.76 PTAFR (0.52) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL9303746 0.75 PTAFR (0.67) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8137536 0.75 TNF (0.59) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8120441 0.75 PTAFR (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8134171 0.75 TNF (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8129576 0.75 PTAFR (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8129274 0.75 ADAM17 (0.42) ADAM17
SCHEMBL8132114 0.75 RECQL (0.49) PTAFRHDAC1HDAC6GALR3NR2F2

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