SCHEMBL9860481

SCHEMBL9860481

COc1cc(N)c(Cl)c2ccc(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.49
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NR4A2 P43354 2/20 0.40
NPC1 O15118 1/20 0.40
ADORA1 P30542 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
CRHR1 P34998 1/20 0.37
DHFR P00374 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL20838482 0.73 MAPT (0.49) G6PDMAPTKDM4ENR4A2ADORA1
SCHEMBL439805 0.73 NR4A2 (0.47) G6PDMAPTKDM4ENR4A2NPC1
SCHEMBL4176630 0.70 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10627274 0.69 OPRK1 (0.56) G6PDPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL16716886 0.69 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL22925156 0.69 ADORA1 (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL15886690 0.68 CCR1 (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL13448137 0.68 MAPT (0.47) G6PDPDE4APDE4BPDE4CPDE4D
SCHEMBL437287 0.68 NR4A2 (0.61) G6PDMAPTKDM4ENR4A2NPC1
SCHEMBL5362078 0.68 MAPT (0.41) G6PDMAPTKDM4ENPC1HSP90AA1

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