SCHEMBL9860403

SCHEMBL9860403

COC(=O)c1ccccc1Sc1ccc(C)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 4/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A4 P31645 8/20 0.52
SLC6A3 Q01959 7/20 0.52
SLC6A2 P23975 7/20 0.52
CFTR P13569 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17080270 0.86 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL1340573 0.85 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL3409694 0.85 ABL1 (0.60) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL3195118 0.84 KDM4E (0.71) ALDH1A1KDM4ELMNASLC6A4SLC6A3
SCHEMBL21939814 0.84 ALDH1A1 (0.75) ALDH1A1MAPTKDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL15227699 0.84 ABL1 (0.58) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL17080245 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL15123241 0.83 SLC6A4 (0.49) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL17080248 0.82 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL4185604 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHSD17B10LMNA

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
EP-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP disclosed
US-4940705-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0322643-A1 Medicines containing as a mixture interferon and 1-desoxy-piperidinoses, process for their manufacture and their use BAYER AG (DE) 1989-07-05 EP disclosed
EP-0313974-A1 N-substituted derivatives of 1-desoxynojirimycine and 1-desoxymannonojirimycine, process for their preparation and their use as pharmaceuticals BAYER AG (DE) 1989-05-03 EP disclosed