SCHEMBL22013622

SCHEMBL22013622

CCc1ccc(S(N)(=O)=NC)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOX P28300 11/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LOXL2 Q9Y4K0 5/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL4648549 0.81 CA2 (0.47) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL18643569 0.75 LOX (0.59) LOXL3MBTL1LOXL2KMT2AMAOA
SCHEMBL3005886 0.73 L3MBTL1 (0.43) LOXL3MBTL1LOXL2KMT2AMEN1
SCHEMBL2117188 0.73 L3MBTL1 (0.43) LOXL3MBTL1LOXL2KMT2AMEN1
SCHEMBL16330265 0.70 L3MBTL1 (0.44) LOXL3MBTL1LOXL2KMT2AMEN1
SCHEMBL12619971 0.68 LOX (0.70) LOXLOXL2MAOA
SCHEMBL4645445 0.67 CA2 (0.44) LOXLOXL2MAOA
SCHEMBL11459274 0.67 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL45854 0.66
SCHEMBL17850539 0.66 L3MBTL1 (0.37) LOXL3MBTL1LOXL2KMT2AMEN1

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed