SCHEMBL28375210

SCHEMBL28375210

CSCC(O)CNNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
CTSK P43235 4/20 0.36
CTSS P25774 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
PPARD Q03181 2/20 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
SCHEMBL19091350 0.83 APLNR (0.42) APLNRCTSKCTSSCA1CA2
SCHEMBL6690055 0.83 MEN1 (0.44) APLNRCTSKCTSSCA1CA2
SCHEMBL2197146 0.83 APLNR (0.42) APLNRCTSKCTSSCA1CA2
SCHEMBL1222570 0.83 MEN1 (0.44) APLNRCTSKCTSSCA1CA2
SCHEMBL1222568 0.83 MEN1 (0.44) APLNRCTSKCTSSCA1CA2
SCHEMBL2194505 0.83 APLNR (0.42) APLNRCTSKCTSSCA1CA2
SCHEMBL2671597 0.77 APLNR (0.46) APLNRCTSKCTSSCA1CA2
SCHEMBL18756255 0.75 APLNR (0.41) APLNRCTSKCA1CA2CA7
SCHEMBL5325084 0.72 APLNR (0.42) APLNRCTSKCTSSCA1CA2
SCHEMBL8356011 0.72 APLNR (0.42) APLNRCTSKCTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084174-B Preparation method of nifuratel 北京金城泰尔制药有限公司 2020-04-17 CN claimed
CN-116947838-A Production method of high-purity nifuratel 北京金城泰尔制药有限公司沧州分公司 2023-10-27 CN disclosed
CN-108084174-B Preparation method of nifuratel 北京金城泰尔制药有限公司 2020-04-17 CN disclosed
CN-108084174-B Preparation method of nifuratel 北京金城泰尔制药有限公司 2020-04-17 CN disclosed