SCHEMBL27896820

SCHEMBL27896820

COc1cccc(N=S(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.51
▸ GSK3B P49841 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5534468 0.78 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1971602 0.77 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10818541 0.77 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17707284 0.77 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Benzene SCHEMBL28711563 0.76 LTA4H (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL917518 0.75 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27530295 0.75 CA1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27779938 0.74 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7047246 0.74 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14464918 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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-102989132-A Golf ball DUNLOP SPORTS CO LTD 2013-03-27 — — CN disclosed
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