SCHEMBL20997498

SCHEMBL20997498

Cc1ccc(C#N)cc1S(=O)(=O)CCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.43
▸ KCNJ6 P48051 1/20 0.39
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ TBXA2R P21731 3/20 0.37
▸ SGK1 O00141 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15932447 0.83 TRPV4 (0.45) ELANEKCNJ6KCNJ5KCNJ3RAD51
SCHEMBL20997497 0.81 CA2 (0.48) ELANERAD51TRPV4CYP11B1CYP11B2
SCHEMBL124134 0.79 RAD51 (0.47) ELANERAD51TRPV4CYP11B1CYP11B2
SCHEMBL13093638 0.78 RAD51 (0.44) KCNJ6KCNJ5KCNJ3RAD51TRPV4
SCHEMBL3650210 0.77 ALDH1A1 (0.45) CA2ALDH1A1
SCHEMBL125367 0.76 RAD51 (0.45) ELANEKCNJ6KCNJ5KCNJ3RAD51
SCHEMBL9498840 0.76 CA2 (0.47) CA2ALDH1A1
SCHEMBL31263607 0.76 CA2 (0.47) CA2ALDH1A1
SCHEMBL22867349 0.75 CA1 (0.46) KCNJ6KCNJ5KCNJ3RAD51CA2
SCHEMBL3079216 0.75 TRPV4 (0.54) KCNJ6KCNJ5KCNJ3RAD51TRPV4

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-3174861-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2019-05-15 — — EP disclosed
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