SCHEMBL7607342

SCHEMBL7607342

O=S(=O)(Nc1ccc(-c2ccccc2Cl)cc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.43
GSK3B P49841 1/20 0.43
PGAM1 P18669 1/20 0.41
PTPN2 P17706 6/20 0.41
PTPN1 P18031 6/20 0.41
PTPN5 P54829 6/20 0.41
RORC P51449 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
STAT3 P40763 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40

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
SCHEMBL7572678 0.93 GSK3B (0.42) CCR9GSK3BPGAM1PTPN2PTPN1
SCHEMBL7564229 0.91 GAA (0.42) CCR9GSK3BPGAM1PTPN2PTPN1
SCHEMBL7588736 0.91 CCR9 (0.45) CCR9GSK3BPGAM1PTPN2PTPN1
SCHEMBL7572137 0.91 GAA (0.42) CCR9GSK3BPGAM1PTPN2PTPN1
SCHEMBL7586565 0.89 PTPN2 (0.41) CCR9GSK3BPGAM1PTPN2PTPN1
SCHEMBL7565871 0.88 GSK3B (0.46) CCR9GSK3BPTPN2PTPN1PTPN5
SCHEMBL7572797 0.85 ACLY (0.49) CCR9GSK3BPTPN2PTPN1PTPN5
SCHEMBL7569198 0.84 CCR9 (0.44) CCR9GSK3BPTPN2PTPN1PTPN5
SCHEMBL7567130 0.84 GSK3B (0.45) CCR9GSK3BPTPN2PTPN1PTPN5
SCHEMBL7590087 0.83 GSK3B (0.44) CCR9GSK3BPTPN2PTPN1PTPN5

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