SCHEMBL20762008

SCHEMBL20762008

CC1(I)C2CC[C@@]1(CS(N)(=O)=O)/C(=N/O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.35
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
CA5A P35218 10/20 0.33
CA5B Q9Y2D0 10/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL22571722 0.87 F2 (0.50) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL20762012 0.87 F2 (0.50) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL28471311 0.75 F2 (0.42) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL15172850 0.69 KMT2A (0.68) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL18885076 0.69 ALDH1A1 (0.49) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL2385301 0.69 KMT2A (0.68) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL18885074 0.69 ALDH1A1 (0.49) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL4484995 0.69 KMT2A (0.68) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL1696817 0.69 KMT2A (0.68) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL5442172 0.69 KMT2A (0.68) L3MBTL1F2PRSS1PRSS2PRSS3

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
WO-2019034696-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed