SCHEMBL6202867

SCHEMBL6202867

CC(C)OC(OC(C)C)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

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
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP19A1 P11511 3/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP17A1 P05093 1/20 0.39

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
SCHEMBL20009016 0.84 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL20008994 0.84 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL20008945 0.84 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23733914 0.81 SMN1; SMN2 (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6631615 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10446411 0.76 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL30391667 0.76
SCHEMBL10236 0.76
SCHEMBL14667815 0.75 KDM4E (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2559305 0.75 CFTR (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0704435-B1 PROCESS FOR PRODUCING HYDROQUINONE AND BENZOQUINONE DERIVATIVE EISAI CO LTD (JP) 1998-06-24 EP disclosed
US-5637716-A Processes for the preparation of hydroquinone and benzoquinone derivatives EISAI CO., LTD. (JP) 1997-06-10 US disclosed
EP-0704435-A1 PROCESS FOR PRODUCING HYDROQUINONE AND BENZOQUINONE DERIVATIVE Eisai Co., Ltd. (JP) 1996-04-03 EP disclosed