SCHEMBL11564223

SCHEMBL11564223

CCCN(CCC)S(=O)(=O)c1nc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 8/20 0.38
CA9 Q16790 8/20 0.38
CA2 P00918 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
CA1 P00915 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.33

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
SCHEMBL11564054 0.94 SMN1; SMN2 (0.42) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11564624 0.93 NPSR1 (0.37) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11565639 0.92 SMN1; SMN2 (0.38) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11558400 0.91 SMN1; SMN2 (0.37) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11556702 0.91 CYP1A2 (0.37) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11556664 0.90 SMN1; SMN2 (0.43) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11564222 0.87 NPSR1 (0.33) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11563834 0.87 POLB (0.40) NPSR1ALDH1A1CA12CA9CA2
SCHEMBL11564165 0.86 LMNA (0.41) NPSR1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL11558570 0.84 CA12 (0.37) NPSR1ALDH1A1CA12CA9CA2

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
US-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed