SCHEMBL4646595

SCHEMBL4646595

O=C1CN(c2cc(-c3cccn3C(=O)O)ccc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
SNRNP200 O75643 1/20 0.38
PTGER1 P34995 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NEK2 P51955 2/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
BRD4 O60885 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL4958868 0.90 PTPN1 (0.49) PTPN1SNRNP200PTGER1HTR1ASLC6A2
SCHEMBL4646708 0.83 PTPN1 (0.60) PTPN1PTGER1FFAR4MRGPRX4BRD4
SCHEMBL4643501 0.83 PTPN1 (0.62) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4648467 0.81 PTPN1 (0.60) PTPN1
SCHEMBL4646366 0.80 PTPN1 (0.61) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4648546 0.80 PTPN1 (0.57) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4646906 0.79 PTPN1 (0.53) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4643306 0.79 PTPN1 (0.53) PTPN1PTGER1SLC6A4
SCHEMBL4644677 0.78 PTPN1 (0.52) PTPN1MRGPRX4BRD4
SCHEMBL4679242 0.77 PTGER1 (0.35) PTGER1HTR1ASLC6A2SLC6A4SLC6A3

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
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO disclosed