SCHEMBL7983133

SCHEMBL7983133

COc1ccc2c(Cl)nncc2c1Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.45
PDE4D Q08499 9/20 0.45
PDE4A P27815 8/20 0.45
PDE4C Q08493 8/20 0.45
PDE10A Q9Y233 1/20 0.41
CYP17A1 P05093 1/20 0.39
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE5A O76074 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7984800 0.83 PDE4A (0.66) PDE4BPDE4DPDE4APDE4CPDGFRB
SCHEMBL6587456 0.73 PDE4A (0.40) PDE4BPDE4DPDE4APDE4CCYP17A1
SCHEMBL7984600 0.73 PDE10A (0.52) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6588404 0.70 FLT1 (0.53) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6586114 0.68 PDE4D (0.51) PDE4BPDE4DPDE4APDE4CPDGFRB
SCHEMBL7451999 0.65 PDE10A (0.51) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6587711 0.64 SHMT2 (0.54) PDE4BPDE4DPDE4APDE4CCYP17A1
SCHEMBL6585981 0.64 PDE4D (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL6587932 0.63 PDE4A (0.45) PDE4BPDE4DPDE4APDE4CPDGFRB
SCHEMBL7446753 0.63 PDE4B (0.67) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed