SCHEMBL6690418

SCHEMBL6690418

O=C1CN(c2cccc(-c3ccccc3)c2)S(=O)(=O)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.73
ALDH1A1 P00352 3/20 0.45
FAAH O00519 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
MGLL Q99685 1/20 0.45
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
COMT P21964 4/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SLC40A1 Q9NP59 1/20 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
SCHEMBL6672718 0.87 PTPN1 (0.59) PTPN1HTTMGLLHTR1AHTR7
SCHEMBL6689304 0.86 PTPN1 (0.81) PTPN1ALDH1A1FAAHMGLLUSP2
SCHEMBL1732116 0.85 PTPN1 (1.00) PTPN1SLC40A1PTPN2
SCHEMBL1731402 0.84 PTPN1 (0.96) PTPN1SLC40A1PTPN2
SCHEMBL5129161 0.80 PTPN1 (0.61) PTPN1SLC40A1PTPN2
SCHEMBL643464 0.80 PTPN1 (0.66) PTPN1ALDH1A1USP2PTPN2
SCHEMBL1731203 0.80 PTPN1 (0.66) PTPN1FAAHMGLLSLC40A1PTPN2
SCHEMBL1688153 0.80 PTPN1 (0.66) PTPN1HSP90AA1MGLLHSD17B10
SCHEMBL6684475 0.80 PTPN1 (0.66) PTPN1ALDH1A1ATMMGLLPTPN2
SCHEMBL1732288 0.79 PTPN1 (0.65) PTPN1ALDH1A1USP2CYP1A2CYP2D6

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-2004041799-A1 5- (SUBSTITUTED PHENYL) -THIADIAZOLIDINE-3-ONES AND THEIR USE AS PTP1B ASTRAZENECA AB (SE) 2004-05-21 WO disclosed