SCHEMBL6629995

SCHEMBL6629995

CCc1nn(Cc2ccccn2)c2c(=O)n(-c3cc(S(C)(=O)=O)ccc3OCC(C)C)cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.35
PDE5A O76074 4/20 0.35
BRD4 O60885 1/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
CHRNA7 P36544 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PKM P14618 1/20 0.31
SLC6A9 P48067 1/20 0.31
PDE6C P51160 1/20 0.30

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
SCHEMBL6630131 0.81 PDE5A (0.50) PDE5AKDM4EALDH1A1KMT2APDE4A
SCHEMBL6629253 0.72 PDE5A (0.65) PDE5ABRD4KDM4EALDH1A1KMT2A
SCHEMBL6630690 0.72 KMT2A (0.43) PDE5AKDM4EALDH1A1KMT2APDE4A
SCHEMBL6631120 0.71 PDE5A (0.60) PDE5AKDM4EKMT2APDE6C
SCHEMBL6806204 0.71 POLB (0.38) SLC16A3SLC16A1ALDH1A1MEN1KMT2A
SCHEMBL6630001 0.71 PDE5A (0.56) PDE5AKDM4EKMT2APDE4APDE4B
SCHEMBL6811716 0.70 PDE5A (0.53) PDE5AKDM4EKMT2APDE4APDE4B
SCHEMBL6630455 0.67 KMT2A (0.45) PDE5ABRD4KDM4EALDH1A1KMT2A
SCHEMBL6802097 0.67 PDE5A (0.36) PDE5ASLC16A3SLC16A1ALDH1A1MEN1
SCHEMBL6629870 0.64 PDE5A (0.54) PDE5ABRD4KDM4EALDH1A1KMT2A

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
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed