SCHEMBL7584723

SCHEMBL7584723

CC(C)c1cccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 6/20 0.41
PTPN1 P18031 6/20 0.41
PTPN5 P54829 6/20 0.41
GSK3B P49841 1/20 0.41
CCR9 P51686 4/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGES2 Q9H7Z7 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.38
HSPD1 P10809 2/20 0.38
HSPE1 P61604 2/20 0.38

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
SCHEMBL7569198 0.87 CCR9 (0.44) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7601861 0.86 SMN1; SMN2 (0.47) ALDH1A1PTGES2SMN1; SMN2
SCHEMBL7565871 0.84 GSK3B (0.46) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7567292 0.84 HSPD1 (0.51) PTPN2PTPN1PTPN5ALDH1A1PTGES2
SCHEMBL7588736 0.82 CCR9 (0.45) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7572678 0.82 GSK3B (0.42) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7607342 0.82 CCR9 (0.43) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7572797 0.82 ACLY (0.49) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7590087 0.82 GSK3B (0.44) PTPN2PTPN1PTPN5GSK3BCCR9
SCHEMBL7588883 0.82 GSK3B (0.46) PTPN2PTPN1PTPN5GSK3BCCR9

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-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed