SCHEMBL8890380

SCHEMBL8890380

COc1ccc(C(F)Cc2c(Cl)cncc2Cl)cc1OCCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.41
PDE4A P27815 8/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
F10 P00742 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8890455 0.82 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL8890376 0.80 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL8891956 0.80 HPGD (0.40) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL8891595 0.77 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL8890126 0.74 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL8891655 0.72 PDE4B (0.70) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL6583680 0.70 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL19415860 0.69 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL8891135 0.69 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL7360805 0.68 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO claimed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed