SCHEMBL11261522

SCHEMBL11261522

O=S(=O)(c1ccccc1)c1ccc(Cc2csc(Br)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LOX P28300 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NAMPT P43490 2/20 0.36
ADRB3 P13945 1/20 0.36
PTPRB P23467 1/20 0.35
HPGD P15428 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11065008 0.82 NOS1 (0.44) ALDH1A1HDAC1HDAC6SMN1; SMN2TDP1
SCHEMBL11260478 0.77 SLC6A4 (0.42) ALDH1A1MAPTHDAC1HDAC6PTPRB
SCHEMBL11259748 0.77 HDAC1 (0.34) MAPTHDAC1HDAC6HPGD
SCHEMBL11265409 0.75 HTR6 (0.52) HTR6HTR2A
SCHEMBL22233466 0.71 CA1 (0.62) HTR6CA2CA12CA1CA9
SCHEMBL23299707 0.69 CA1 (0.65) HTR6CA2ALDH1A1LOXCA12
SCHEMBL2217200 0.68 HTR6 (0.61) HTR6CA2ALDH1A1MAPTLOX
SCHEMBL24917161 0.67 HTR6 (0.77) HTR6CA2ALDH1A1MAPTLOX
SCHEMBL7929144 0.67 HTR6 (0.55) HTR6CA2CA12CA1CA9
SCHEMBL7938372 0.67 HTR2A (0.58) HTR6CA2CA12CA1CA9

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-4312869-A Monosubstituted piperazines SCIENCE UNION ET CIE (FR) 1982-01-26 US disclosed