SCHEMBL6205478

SCHEMBL6205478

COC([O])c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNN4 O15554 2/20 0.43
KCNA5 P22460 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
TBXAS1 P24557 1/20 0.41

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
SCHEMBL6631615 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL792191 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1753695 0.78 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9906896 0.78 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL18513564 0.78 CFTR (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL365218 0.77
SCHEMBL2493545 0.76 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6629617 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL12714386 0.76 SMN1; SMN2 (0.55) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8355124 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed
CN-103517898-A Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARM CO LTD 2014-01-15 CN disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed