SCHEMBL9757285

SCHEMBL9757285

Cc1ccc(S(=O)(=O)N2Cc3cccc(Br)c3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HTR6 P50406 4/20 0.49
DRD3 P35462 3/20 0.49
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45

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
SCHEMBL9757694 0.83 LMNA (0.54) PKMGAAHTTALDH1A1POLB
SCHEMBL9757204 0.83 PKM (0.51) PKMGAAHTTALDH1A1POLB
SCHEMBL13171921 0.82 PKM (0.44) PKMGAAHTTALDH1A1POLB
SCHEMBL29191634 0.82 KCNN4 (0.49) PKMGAAHTTALDH1A1POLB
SCHEMBL5708819 0.81 GAA (0.62) PKMGAAHTTALDH1A1POLB
SCHEMBL7497454 0.81 PKM (0.49) PKMGAAHTTALDH1A1POLB
SCHEMBL7364560 0.79 CYP3A4 (0.61) PKMHTTALDH1A1POLBAKR1C3
SCHEMBL21522088 0.79 PKM (0.50) PKMGAAHTTALDH1A1POLB
SCHEMBL520028 0.79 AKR1C3 (0.44) HTTALDH1A1HTR6DRD3AKR1C3
SCHEMBL11773546 0.76 PKM (0.61) PKMGAAHTTALDH1A1POLB

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed