SCHEMBL28001099

SCHEMBL28001099

CC(C)CCCC(C)NS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 7/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
CA1 P00915 3/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
HTR7 P34969 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 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
SCHEMBL7215138 0.84 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1CA2CA9MEN1
SCHEMBL28001450 0.78 ALDH1A1 (0.81) SMN1; SMN2ALDH1A1CA2CA9MEN1
SCHEMBL28001091 0.76 GAA (0.45) SMN1; SMN2ALDH1A1CA2CA9CA12
SCHEMBL1570351 0.76 NPSR1 (0.47) SMN1; SMN2ALDH1A1CA2CA9MEN1
SCHEMBL7050294 0.73 ADAMTS4 (0.40) SMN1; SMN2ALDH1A1CA2CA9CA12
SCHEMBL2104884 0.71 ALDH1A1 (0.62) ALDH1A1CA2CA9MEN1KMT2A
SCHEMBL9462804 0.71 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1CA2CA9MEN1
SCHEMBL25485937 0.71 CA12 (0.45) SMN1; SMN2ALDH1A1CA2CA9MEN1
SCHEMBL3971060 0.70 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2CA9KMT2A
SCHEMBL3974092 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2CA9MEN1

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-104345566-A Coloring composition, coloring immobilizing membrane and display element JSR CORP 2015-02-11 CN disclosed