SCHEMBL29247367

SCHEMBL29247367

O=S(=O)(c1ccccc1)n1cc(Br)c2cnccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.59
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR7 P34969 2/20 0.45
HTR2A P28223 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLK1 P53350 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
DRD3 P35462 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
SCHEMBL30974768 1.00 HTR6 (0.59) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL13051118 0.89 HTR6 (0.52) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL30295250 0.86 HTR6 (0.61) HTR6CA1CA2CA9
SCHEMBL1895249 0.86 HTR6 (0.61) HTR6CA1CA2CA9
SCHEMBL29651100 0.82 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL1996382 0.82 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL29247631 0.78 HTR6 (0.57) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL3893764 0.78 HTR6 (0.73) HTR6HTR1ADRD2HTR7HTR1D
SCHEMBL29247793 0.77 HTR6 (0.56) HTR6HTR1ADRD2HTR7LMNA
SCHEMBL30372616 0.77 HTR6 (0.56) HTR6HTR1ADRD2HTR7LMNA

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-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed