SCHEMBL7376189

SCHEMBL7376189

O=C(O)c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)c3)oc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 13/20 0.57
PTPN1 P18031 11/20 0.57
HSPD1 P10809 11/20 0.57
HSPE1 P61604 11/20 0.57
PTPN2 P17706 10/20 0.57
DHODH Q02127 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
MAP2K4 P45985 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ACLY P53396 1/20 0.46

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
SCHEMBL441953 0.80 DHODH (0.65) PTPN5PTPN1PTPN2DHODHMEN1
SCHEMBL6216739 0.80 DHODH (0.72) PTPN5PTPN1HSPD1HSPE1PTPN2
SCHEMBL7377092 0.76 CCR9 (0.51) PTPN1HSPD1HSPE1PTPN2DHODH
SCHEMBL5373826 0.75 PTPN1 (0.74) PTPN5PTPN1HSPD1HSPE1PTPN2
SCHEMBL9997380 0.74 PFKFB3 (0.64) MEN1GAAKMT2AMCL1ACLY
SCHEMBL396095 0.73 AKR1C3 (0.62) MEN1GAAKMT2AHDAC6
SCHEMBL5373250 0.73 POLB (0.63) MEN1KMT2AMCL1ACLY
SCHEMBL7372415 0.72 PTPN2 (0.56) PTPN5PTPN1HSPD1HSPE1PTPN2
SCHEMBL5368419 0.72 POLB (0.66) PTPN5MEN1KMT2AMCL1HDAC6
SCHEMBL4253314 0.72 PTPN1 (0.75) PTPN5PTPN1HSPD1HSPE1PTPN2

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
WO-2001074786-A1 HETEROBIARYLSULPHONAMIDES AND THEIR USE AS PDE 7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-10-11 WO claimed
WO-2001074786-A1 HETEROBIARYLSULPHONAMIDES AND THEIR USE AS PDE 7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-10-11 WO disclosed