SCHEMBL6583680

SCHEMBL6583680

COc1ccc(C(O)CC#N)cc1OCCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ACHE P22303 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.40
CHEK1 O14757 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 3/20 0.38
ADRB2 P07550 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 2/20 0.38
ADRB1 P08588 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6582744 0.84 SIGMAR1 (0.50)
SCHEMBL6586912 0.79 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6585940 0.79 L3MBTL1 (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586702 0.79 FFAR1 (0.45) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6582898 0.78 PPARG (0.53) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL6584079 0.77 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL6584988 0.77 CHEK1 (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL28072026 0.76 TP53 (0.53) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL6588285 0.75 HIF1A (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586764 0.74 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed