SCHEMBL25406642

SCHEMBL25406642

CC(Cc1ccccc1S(N)(=O)=O)N1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.48
▸ GFER P55789 2/20 0.48
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA3 P07451 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA13 Q8N1Q1 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL20957018 0.73 SLC6A2 (0.46) GAAGFERLMNAMAPTTP53
SCHEMBL25407901 0.73 ALDH1A1 (0.55) CA12CA1CA2CA3CA4
Hydrochloric Acid SCHEMBL31467512 0.72 SLC6A2 (0.47) GAAGFERLMNAMAPTTP53
SCHEMBL24729037 0.72 ALDH1A1 (0.47) GAAGFERLMNAMAPTTP53
SCHEMBL8216960 0.72 ALDH1A1 (0.47) GAAGFERLMNAMAPTTP53
SCHEMBL674104 0.71 CA2 (0.45) GAACA12CA1CA2CA4
SCHEMBL26298466 0.71 SLC6A2 (0.60) GAAGFERSMN1; SMN2LMNAMAPT
SCHEMBL31467509 0.70 MAPT (0.51) GAAGFERLMNAMAPTTP53
Hydrochloric Acid SCHEMBL14638222 0.70 CA2 (0.45) GAACA12CA1CA2CA4
SCHEMBL24421765 0.69 SLC6A2 (0.45) GAAGFERLMNAMAPTTP53

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-3481801-B1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME UNIV ARIZONA (US) 2023-09-06 — — EP disclosed
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