SCHEMBL7446947

SCHEMBL7446947

CCCOc1ccccc1-c1nc2c(CCC)n[nH]c2c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 18/20 0.46
PDE1A P54750 4/20 0.45
PDE1B Q01064 4/20 0.45
PDE1C Q14123 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
PDE2A O00408 1/20 0.45
PDE6D O43924 1/20 0.45
PDE9A O76083 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7950670 0.80 KDM4E (0.46) KMT2AKDM4EPDE5AMEN1PDE6C
SCHEMBL6202064 0.79 PDE5A (0.63) ALDH1A1KMT2AKDM4EHSD17B10GLA
SCHEMBL7430980 0.77 PDE5A (0.45) ALDH1A1KMT2AKDM4EHSD17B10GLA
SCHEMBL1872915 0.76 PDE5A (0.58) ALDH1A1KMT2AHSD17B10PDE5APDE1A
SCHEMBL7360293 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EHSD17B10PDE5A
Potassium Ion SCHEMBL7465463 0.74 PDE5A (0.57) ALDH1A1KMT2AKDM4EHSD17B10GLA
SCHEMBL6249380 0.74 PDE5A (0.42) ALDH1A1KMT2AKDM4EPDE5APDE1A
SCHEMBL7964905 0.73 PDE5A (0.38) ALDH1A1KMT2AKDM4EPDE5APDE1A
SCHEMBL17545115 0.73 PDE5A (0.68) PDE5APDE1APDE2APDE9APDE4A
SCHEMBL7019550 0.72 PDE5A (0.46) KMT2AHSD17B10PDE5APDE1APDE1B

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
WO-2001087888-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SK CHEMICALS CO., LTD. (KR) 2001-11-22 WO disclosed