SCHEMBL30443294

SCHEMBL30443294

Cc1ccc(S(=O)(=O)n2cc(Br)c3ncccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
ALDH3A1 P30838 1/20 0.50
NOD1 Q9Y239 1/20 0.50
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
KDM4E B2RXH2 2/20 0.48
UBE2N P61088 1/20 0.48
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
COMT P21964 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR6 P50406 3/20 0.44
CYP19A1 P11511 2/20 0.44
HSD11B1 P28845 2/20 0.42

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
SCHEMBL15332261 0.82 L3MBTL1 (0.49) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL29604813 0.81 CA1 (0.51) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL20111657 0.81 CA1 (0.51) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL15392219 0.80 ALDH3A1 (0.62) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26969417 0.80 CA1 (0.50) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL29605109 0.78 L3MBTL1 (0.58) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL1668563 0.78 L3MBTL1 (0.58) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL517434 0.77 KDM4E (0.68) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL29460860 0.77 KDM4E (0.68) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL3622006 0.76 HTR6 (0.58) ALDH1A1LMNAMAPTHTR6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116262753-A Novel PIM kinase inhibitors 杭州邦顺制药有限公司 2023-06-16 CN disclosed