SCHEMBL28106677

SCHEMBL28106677

O=C(O)NCCN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.49
BRD4 O60885 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HSD17B2 P37059 1/20 0.45
PTGES O14684 1/20 0.44
LIMK2 P53671 4/20 0.43
LIMK1 P53667 2/20 0.43
PGR P06401 1/20 0.43
HTR6 P50406 3/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
PIM1 P11309 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL28106979 0.86 NR3C1 (0.49) NR3C1MTNR1AMTNR1BLIMK2LIMK1
SCHEMBL18138845 0.74 PFKFB3 (0.51) NR3C1MTNR1AMTNR1BPTGESLIMK2
SCHEMBL18300922 0.73 MTNR1A (0.41) NR3C1MTNR1AMTNR1BPTGESLIMK2
SCHEMBL18300923 0.73 PLAU (0.43) NR3C1MTNR1AMTNR1BPTGESLIMK2
SCHEMBL28106666 0.73 NR3C1 (0.52) NR3C1LIMK2HTR6ALDH1A1
SCHEMBL18138726 0.73 MTNR1A (0.57) NR3C1MTNR1AMTNR1BALDH1A1
SCHEMBL28107051 0.72 NR3C1 (0.46) NR3C1MTNR1AMTNR1BLIMK2LIMK1
SCHEMBL1403074 0.71 PGR (0.75) BRD4HSD17B2PGRHTR6ALDH1A1
SCHEMBL30565215 0.71 PGR (0.75) BRD4HSD17B2PGRHTR6ALDH1A1
SCHEMBL28106702 0.71 NR3C1 (0.45) NR3C1MTNR1AMTNR1BLIMK2LIMK1

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-106029633-A Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof 国立大学法人筑波大学 2016-10-12 CN disclosed