SCHEMBL7744329

SCHEMBL7744329

COc1ccc2c(-c3ccc(C=O)o3)nn(Cc3ccccc3)c2c1.COc1ccc2c(-c3ccc(COC(C)=O)o3)nn(Cc3ccccc3)c2c1.ON=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.58
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL3081769 0.87 PDE5A (0.76) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3058632 0.85 PDE5A (0.69) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3058630 0.85 PDE5A (0.69) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3068514 0.82 PDE5A (0.70) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3071011 0.81 PDE5A (0.74) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL5118969 0.77 PDE5A (0.71) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3073968 0.77 PDE5A (0.64) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3077590 0.77 PDE5A (0.64) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL3072238 0.77 PDE5A (0.53) PDE5AMAPTTP53KDM4ENPC1
SCHEMBL7739227 0.76 PDE5A (0.44) PDE5AMAPTTP53KDM4ENPC1

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
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed