SCHEMBL7439637

SCHEMBL7439637

COC(=O)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.54
PDE4B Q07343 13/20 0.54
PDE4C Q08493 13/20 0.54
PDE4D Q08499 13/20 0.54
SLC40A1 Q9NP59 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CDK8 P49336 1/20 0.44

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
Hydrochloric Acid SCHEMBL7443954 0.99 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL5775461 0.86 SLC40A1 (0.48) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL418337 0.84 SLC40A1 (0.57) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL4038293 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6182554 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7449817 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL5775465 0.79 SLC40A1 (0.48) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL4037497 0.79 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL4035513 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL5257490 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D

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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed