SCHEMBL4330186

SCHEMBL4330186

Cc1ccc(S(=O)(=O)Oc2ccc(-c3csc(N=C(N)N)n3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
GFER P55789 1/20 0.69
ATP4A P20648 17/20 0.61
ATP4B P51164 17/20 0.61
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL4324082 0.89 ATP4A (0.64) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4334951 0.88 ATP4A (0.58) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4322753 0.86 ATP4A (0.55) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4322564 0.85 ATP4A (0.54) MAPTNPC1RAB9AGFERATP4A
Bromide SCHEMBL826907 0.82 MAPT (0.97) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4330190 0.78 KCNQ1 (0.53) MAPTNPC1RAB9ANPSR1
SCHEMBL4109611 0.77 ATP4A (1.00) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4338179 0.77 ATP4A (0.61) MAPTNPC1RAB9AGFERATP4A
Bromide SCHEMBL826017 0.76 ATP4A (1.00) MAPTNPC1RAB9AGFERATP4A
SCHEMBL4324285 0.75 ATP4A (0.52) MAPTNPC1RAB9AGFERATP4A

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
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed