SCHEMBL9385461

SCHEMBL9385461

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA4 P22748 1/20 0.42
MMP2 P08253 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA7 P43166 1/20 0.37
ADAMTS4 O75173 1/20 0.36
AIMP2 Q13155 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9384830 1.00 CA2 (0.42) CA2CA1CA9CA4MMP2
SCHEMBL7021143 0.78 NPSR1 (0.59) CA2CA1CA9ALDH1A1NPSR1
SCHEMBL9385459 0.77 CA2 (0.42) CA2CA1CA9CA4MMP2
SCHEMBL9384827 0.77 CA2 (0.42) CA2CA1CA9CA4MMP2
SCHEMBL8565136 0.77 CA1 (0.51) CA2CA1CA9CA4MMP2
SCHEMBL8566213 0.75 CA1 (0.49) CA2CA1CA9CA4MMP2
SCHEMBL8562818 0.75 CA1 (0.49) CA2CA1CA9CA4MMP2
SCHEMBL9595462 0.74 MMP1 (0.53) CA2CA1CA9MMP2MMP7
SCHEMBL8559447 0.73 PTAFR (0.55) CA2CA1CA9CA4MMP2
SCHEMBL15771953 0.72 ALDH1A1 (0.73) CA2CA1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO disclosed