SCHEMBL8559447

SCHEMBL8559447

CCOC[C@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.55
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 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
SCHEMBL8562818 0.87 CA1 (0.49) PTAFRCA2CA1CA9CA4
SCHEMBL8566213 0.87 CA1 (0.49) PTAFRCA2CA1CA9CA4
SCHEMBL8565136 0.81 CA1 (0.51) PTAFRCA2CA1CA9CA4
SCHEMBL8133560 0.76 MMP1 (0.51) ALDH1A1KDM4EHPGDGAAMMP1
SCHEMBL7021143 0.74 NPSR1 (0.59) CA2CA1CA9ALDH1A1GAA
SCHEMBL8561167 0.73 ALDH1A1 (0.38) PTAFRCA1CA9ALDH1A1HPGD
SCHEMBL9385459 0.73 CA2 (0.42) CA2CA1CA9CA4CA7
SCHEMBL9384827 0.73 CA2 (0.42) CA2CA1CA9CA4CA7
SCHEMBL9385461 0.73 CA2 (0.42) CA2CA1CA9CA4CA7
SCHEMBL9384830 0.73 CA2 (0.42) CA2CA1CA9CA4CA7

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
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed