SCHEMBL692648

SCHEMBL692648

Cc1cc2cc(S(=O)(=O)Cl)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
PKM P14618 7/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
F10 P00742 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
P2RX3 P56373 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
Hydrochloric Acid SCHEMBL27679752 0.81 SNCA (0.44) DYRK1APKMKMT2AMEN1NPSR1
SCHEMBL22587550 0.77 MAOB (0.50) KMT2AMEN1NPSR1CA12CA2
SCHEMBL2799834 0.75 SMN1; SMN2 (0.56) PKMKMT2AMEN1LMNACA12
SCHEMBL693536 0.75 PKM (0.33) PKMKMT2AMEN1NPSR1F10
SCHEMBL25262259 0.73 TP53 (0.44) KMT2AMEN1LMNACA12CA2
SCHEMBL25988418 0.72 GAA (0.49) PKMKMT2AMEN1NPSR1LMNA
SCHEMBL17364507 0.72 BRPF1 (0.44) DYRK1APKMKMT2AMEN1LMNA
SCHEMBL6809812 0.71 CA1 (0.44) CA1CA2CA9
SCHEMBL30357699 0.71 LMNA (0.48) LMNACA1CA2CA9ALDH1A1
SCHEMBL2263563 0.71 LMNA (0.48) LMNACA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1997363-B Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS 2012-03-28 CN disclosed
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
CN-1997363-A Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2007-07-11 CN disclosed