Sugi Predict

Sugi Predict / Compounds / SCHEMBL6157438

SCHEMBL6157438

SCHEMBL6157438

C=CCN(CCC#N)S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL5350959 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1079249 0.77 CA2 (0.40) ALDH1A1CA12CA1CA2CA14
Hydrochloric Acid SCHEMBL11668105 0.75 CA2 (0.39) ALDH1A1CA12CA1CA2CA14
SCHEMBL976003 0.75 CA1 (0.64) CA12CA1CA2CA14
SCHEMBL4001948 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13685608 0.69 ALDH1A1 (0.46) ALDH1A1
SCHEMBL20193320 0.66 ALDH1A1 (0.42) ALDH1A1
SCHEMBL26123569 0.66 NLRP3 (0.39) ALDH1A1CA12CA1CA2CA14
SCHEMBL31467577 0.65 RAB9A (0.46) ALDH1A1CA12CA1CA2CA14
SCHEMBL9741287 0.65 KDM4E (0.35) CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506169-A1 METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-16 — — EP disclosed
WO-2003097589-A1 METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-27 — — WO disclosed