SCHEMBL28098388

SCHEMBL28098388

O=S(=O)(O)n1cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.36
PPME1 Q9Y570 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28189646 0.72 HTR6 (0.50) RAPGEF4PPME1TSHR
SCHEMBL14955691 0.71 RAPGEF4 (0.40) RAPGEF4TSHRSMN1; SMN2
SCHEMBL31738653 0.68 KDM4E (0.41) TSHR
SCHEMBL30467032 0.62 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL5636978 0.61 HTR6 (0.61) RAPGEF4TSHR
1,2-Dichlorobenzene SCHEMBL28859926 0.59 TSHR (0.62) TSHRSMN1; SMN2
Chlorobenzene SCHEMBL7223075 0.59 TSHR (0.69) TSHRSMN1; SMN2
1,4-Dichlorobenzene SCHEMBL28859925 0.57 ALDH1A1 (0.58) TSHR
1,4-Dichlorobenzene SCHEMBL2727174 0.57 ALDH1A1 (0.58) TSHR
1,2-Dichlorobenzene SCHEMBL10452828 0.57 TSHR (0.59) TSHRSMN1; SMN2

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-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed