SCHEMBL4049976

SCHEMBL4049976

Cc1ccc(S(=O)(=O)N2CC2C)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
USP2 O75604 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MCOLN3 Q8TDD5 2/20 0.41
ACHE P22303 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5001507 0.72 L3MBTL1 (0.67) TSHRL3MBTL1MCOLN3ACHELMNA
SCHEMBL4047383 0.72 L3MBTL1 (0.67) TSHRL3MBTL1MCOLN3ACHELMNA
SCHEMBL6346703 0.72 L3MBTL1 (0.67) TSHRL3MBTL1MCOLN3ACHELMNA
SCHEMBL6891702 0.71 ALDH1A1 (0.35) USP2MCOLN3SMN1; SMN2GAALMNA
SCHEMBL24278496 0.70 ALDH1A1 (0.39) TSHRL3MBTL1GAAKMT2AALDH1A1
SCHEMBL31717331 0.70 TRPV4 (0.39) L3MBTL1MCOLN3SMN1; SMN2GAALMNA
SCHEMBL21962890 0.68 ALDH1A1 (0.46) MAPK1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL17065538 0.67 MEN1 (0.60) TSHRL3MBTL1GAALMNAKMT2A
SCHEMBL1567289 0.67 MAOA (0.35) L3MBTL1MCOLN3SMN1; SMN2GAALMNA
SCHEMBL4001419 0.67 NPSR1 (0.51) L3MBTL1MAPK1GAAKMT2AALDH1A1

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-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed