SCHEMBL6957722

SCHEMBL6957722

CNc1ccccc1S([O])(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL11840111 0.84 HTR6 (0.77) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL2634765 0.82 HTR6 (0.62) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL3363295 0.80 CA2 (0.67) HTR6CA2CA1CA9CA12
Hydrochloric Acid SCHEMBL3921297 0.80 HTR6 (0.60) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL35949 0.80 HTR6 (0.60) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL30335715 0.80 CA2 (0.67) HTR6CA2CA1CA9CA12
SCHEMBL29704174 0.80 HTR6 (0.60) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL28072901 0.78 HTR6 (0.58) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL28173629 0.78 HTR6 (0.58) HTR6L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL14372093 0.77 HTR6 (1.00) HTR6L3MBTL1MAPTTDP1KDM4E

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
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