SCHEMBL28044909

SCHEMBL28044909

O=C1CN(c2ccc3ccc(OCCCO)cc3c2)S(=O)(=O)N1.[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.48
PTPN2 P17706 5/20 0.45
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
P2RY12 Q9H244 3/20 0.38
PDE2A O00408 2/20 0.38
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
XDH P47989 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3572033 0.76 PTPN1 (0.66) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL2934384 0.74 PTPN1 (0.72) PTPN1PTPN2CA12CA1CA9
SCHEMBL17073984 0.71 TDP1 (0.53) PDE3BPDE3AP2RY12PDE2ADRD3
SCHEMBL22893515 0.70 PTPN2 (0.78) PTPN1PTPN2
SCHEMBL22893421 0.68 PTPN2 (0.78) PTPN1PTPN2
SCHEMBL24914283 0.67 PTPN2 (0.69) PTPN1PTPN2
SCHEMBL470915 0.66 TDP1 (0.66) DRD3HRH3
SCHEMBL22412641 0.66 PTPN1 (0.69) PTPN1PTPN2
SCHEMBL22893308 0.66 PTPN2 (0.77) PTPN1PTPN2
SCHEMBL23539417 0.66 PTPN1 (0.80) PTPN1PTPN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105193821-A Diabetes mellitus resistant oral medicine composition ZHU ZHONGLIANG 2015-12-30 CN disclosed
CN-105193800-A Diabetes mellitus resistant oral medicine composition ZHU ZHONGLIANG 2015-12-30 CN disclosed
CN-105193801-A Diabetes mellitus resistant oral medicine composition ZHU ZHONGLIANG 2015-12-30 CN disclosed