SCHEMBL4433353

SCHEMBL4433353

O=S(=O)(NC1CCC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MCHR1 Q99705 3/20 0.47
ADRA2A P08913 2/20 0.47
NPY5R Q15761 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALPL P05186 1/20 0.46
SLC22A12 Q96S37 3/20 0.45
SLC40A1 Q9NP59 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL1723245 0.88 MCHR1 (0.47) ALDH1A1MAPTL3MBTL1MCHR1ADRA2A
SCHEMBL23052300 0.84 DRD2 (0.52)
SCHEMBL2470085 0.83 ALPL (0.42) ALDH1A1MAPTL3MBTL1MCHR1ADRA2A
SCHEMBL3027665 0.81 MCHR1 (0.61) ALDH1A1MAPTMCHR1ADRA2ANPY5R
SCHEMBL27999788 0.77 ALPL (0.53) MAPTNPSR1ALPLSLC22A12SLC40A1
SCHEMBL418590 0.75 ALPL (0.52) MAPTNPSR1ALPLSLC22A12SLC40A1
SCHEMBL28312855 0.75 SLC22A12 (0.54) MAPTNPSR1ALPLSLC22A12SLC40A1
SCHEMBL8229520 0.75 ALPL (0.52) MAPTGAANPSR1ALPLSLC22A12
SCHEMBL10154346 0.75 ALPL (0.52) MAPTNPSR1ALPLSLC22A12SLC40A1
SCHEMBL3006664 0.75 MCHR1 (0.66) L3MBTL1MCHR1ADRA2ANPY5RHTT

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-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 EP claimed
WO-2008109055-A2 CYANOPYRROLE SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO claimed