SCHEMBL7367124

SCHEMBL7367124

Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(-c2nc3c(C(=O)O)cccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.51
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACLY P53396 2/20 0.48
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
FBP1 P09467 1/20 0.46
CCR2 P41597 1/20 0.45
HSPD1 P10809 1/20 0.45
HSPE1 P61604 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7373564 0.93 TOP2A (0.51) CCR9HPGDALOX15TSHRMAPK1
SCHEMBL7377092 0.86 CCR9 (0.51) CCR9HPGDALOX15TSHRMAPK1
SCHEMBL7369763 0.85 HPGD (0.46) CCR9HPGDALOX15TSHRMAPK1
SCHEMBL7370775 0.79 PTPN1 (0.63) HPGDNPSR1ACLYLMNATP53
SCHEMBL121768 0.78 IKBKB (0.51) TSHRLMNATP53MAPTMEN1
SCHEMBL7375606 0.78 ACLY (0.46) CCR9HPGDALOX15TSHRMAPK1
SCHEMBL2957102 0.76 AGPAT2 (0.48) NPSR1TP53MAPTFBP1ALDH1A1
SCHEMBL7372057 0.75 KDM4E (0.64) TSHRACLYLMNAMAPTALDH1A1
SCHEMBL7375039 0.74 PTPN2 (0.56) CCR9MAPK1LMNATP53MAPT
SCHEMBL120321 0.73 HTR3A (0.54) NPSR1LMNAMAPTPTPN2PTPN1

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