SCHEMBL8564562

SCHEMBL8564562

CCOC(=O)c1ncc(Cn2c(NC3CCN(C(=O)OCC)CC3)nc3ccccc32)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
NOS2 P35228 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CDK1 P06493 3/20 0.43
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CDK2 P24941 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NOS3 P29474 1/20 0.42

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
SCHEMBL8565649 0.94 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL8561759 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL6995967 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1
Water SCHEMBL10396512 0.84 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL6999609 0.84 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1
Water SCHEMBL10396513 0.84 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL9383903 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL7492660 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL9384980 0.83 KDM4E (0.51) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL9629456 0.82 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
EP-0539421-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed