SCHEMBL10655441

SCHEMBL10655441

O=c1c2c(c3cccnc3n1-c1cccc(C(F)(F)F)c1)SCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
ELANE P08246 1/20 0.38
HTT P42858 1/20 0.38
CYP11B2 P19099 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
KCNN4 O15554 1/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10379090 0.85 MAPT (0.46) PDE4BPDE4DPMM2MPIPHOSPHO1
SCHEMBL9629153 0.83 FEN1 (0.50) PDE4BPDE4DALDH1A1MAPT
SCHEMBL10376581 0.82 KAT2B (0.49) PDE4BPDE4DPMM2MPIPOLB
SCHEMBL10377346 0.81 PDE4B (0.42) PDE4BPDE4DALOX5MAPTKMT2A
SCHEMBL10660694 0.81 PDE4B (0.42) PDE4BPDE4DPMM2MPIPHOSPHO1
SCHEMBL10660620 0.80 TNF (0.38) PDE4BPDE4DKMT2A
SCHEMBL10378837 0.80 MAPT (0.38) PDE4BPDE4DTP53CYP1A2ALDH1A1
SCHEMBL10377552 0.80 KAT2B (0.44) PDE4BPDE4DTP53ALDH1A1MAPT
SCHEMBL10379093 0.80 KAT2B (0.47) PDE4BPDE4DTP53POLBCYP1A2
SCHEMBL10659673 0.80 PDE4A (0.36) PDE4BPDE4DALDH1A1KMT2A

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
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed