SCHEMBL8120441

SCHEMBL8120441

COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
TNF P01375 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
ALDH1A1 P00352 1/20 0.46
S1PR1 P21453 1/20 0.45
EDNRA P25101 1/20 0.44
RORC P51449 1/20 0.43
PPARG P37231 1/20 0.43
TBXAS1 P24557 1/20 0.43
APAF1 O14727 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
SCHEMBL8129576 1.00 PTAFR (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8134167 0.94 PTAFR (0.56) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8126891 0.93 PTAFR (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8131799 0.91 PTAFR (0.50) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8127846 0.90 HDAC1 (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8134050 0.90 HDAC1 (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8124045 0.90 HDAC1 (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8129749 0.89 AGTR2 (0.56) PTAFRHDAC1HDAC6AGTR1AGTR2
SCHEMBL8134171 0.89 TNF (0.53) PTAFRHDAC1HDAC6GALR3NR2F2
SCHEMBL8135468 0.88 PTAFR (0.69) PTAFRS1PR1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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