SCHEMBL11470293

SCHEMBL11470293

CC(=O)c1cccc(S(N)(=O)=O)c1OCc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.58
MAOA P21397 4/20 0.58
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PARP15 Q460N3 3/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
HPD P32754 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
IDO1 P14902 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
SCHEMBL1120930 0.86 MAOB (0.56) MAOBMAOAESR1NR3C1PGR
SCHEMBL6895382 0.83 MAOB (0.60) MAOBMAOAESR1NR3C1PGR
SCHEMBL11596038 0.81 MAOB (0.61) MAOBMAOAESR1NR3C1PGR
SCHEMBL1221635 0.79 MAOB (0.53) MAOBMAOAESR1NR3C1PGR
SCHEMBL6074417 0.76 MAOB (0.49) MAOBMAOAESR1NR3C1PGR
SCHEMBL3148815 0.73 MAPT (0.47) MAOBALDH1A1SMN1; SMN2
SCHEMBL27382375 0.72 CA2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL8604730 0.70 MAOB (0.41) MAOBMAOATHRATHRB
SCHEMBL7143033 0.69 MEN1 (0.49) MAOBALDH1A1SMN1; SMN2PARP1
SCHEMBL4892139 0.69 THRA (0.55) MAOBMAOAESR1NR3C1PGR

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
US-4217305-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-08-12 US disclosed