SCHEMBL14229013

SCHEMBL14229013

CCCCN(CCC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.61
CA12 O43570 7/20 0.61
CA2 P00918 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
ABCC2 Q92887 1/20 0.61
SLC22A12 Q96S37 1/20 0.61
UGT1A7 Q9HAW7 1/20 0.61
SLC22A11 Q9NSA0 1/20 0.61
CA1 P00915 5/20 0.56
CNR2 P34972 2/20 0.56
PTGES O14684 1/20 0.53
POLB P06746 1/20 0.52
GLA P06280 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3694171 0.96 CNR2 (0.58) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL9361266 0.95 CA9 (0.63) CA9CA12CA2SMN1; SMN2RAB9A
Ditolamide SCHEMBL2110790 0.93 CA9 (0.64) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL8101278 0.91 CNR2 (0.64) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL8626916 0.90 SMN1; SMN2 (0.58) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL7611913 0.90 CNR2 (0.67) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL2469274 0.90 KDM4E (0.59) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL9307801 0.90 CNR2 (0.67) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL12391143 0.87 SMN1; SMN2 (0.58) CA9CA12CA2SMN1; SMN2RAB9A
SCHEMBL14200224 0.86 CNR2 (0.50) CA9CA12CA2SMN1; SMN2RAB9A

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed