SCHEMBL28022953

SCHEMBL28022953

CC(C)(C)NS(=O)(=O)c1cccc(CCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
PARG Q86W56 1/20 0.47
HTR6 P50406 4/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP19A1 P11511 3/20 0.41
NSD2 O96028 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2854642 0.81 MAPT (0.63) MAPTSMN1; SMN2KDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL30468417 0.80 MAPT (0.61) MAPTSMN1; SMN2KDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL29051918 0.80 MAPT (0.61) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL2570160 0.80 KDM4E (0.61) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL27886320 0.79 SMN1; SMN2 (0.59) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL30415039 0.78 LMNA (0.58) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL19287492 0.78 MAPT (0.58) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL1738690 0.77 GRM2 (0.45) SMN1; SMN2NPC1RAB9AHTR6ALDH1A1
SCHEMBL265040 0.76 MAPT (0.69) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL10016535 0.75 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KDM4ELMNAMEN1

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-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed