SCHEMBL10433871

SCHEMBL10433871

Cc1ccc(S(=O)(=O)N(OCC2COC(C)(C)O2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
NR3C1 P04150 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
SCHEMBL562062 0.76 CA2 (0.58) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL898388 0.76 CA2 (0.58) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL411517 0.76 CA2 (0.58) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28511826 0.72 MEN1 (0.46) CA2KMT2AMEN1ALDH1A1LMNA
SCHEMBL2115284 0.72 CRBN (0.45) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2115280 0.72 CRBN (0.45) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6041975 0.71 CA2 (0.49) CA2CA12CA9KMT2AMEN1
SCHEMBL27802097 0.71 CRBN (0.44) CA2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL879857 0.69 CA2 (0.46) CA2CA12CA9KMT2AMEN1
SCHEMBL4294384 0.69 CA2 (0.46) CA2CA12CA9KMT2AMEN1

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-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed