SCHEMBL13618347

SCHEMBL13618347

COC(=O)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.71
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
MAPT P10636 2/20 0.69
NPC1 O15118 1/20 0.69
GMNN O75496 1/20 0.69
TP53 P04637 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX15 P16050 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
RAB9A P51151 1/20 0.69
BLM P54132 1/20 0.69

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
SCHEMBL1898458 0.84 PDE5A (0.67) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL4849350 0.83 PDE5A (1.00) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL3071011 0.83 PDE5A (0.74) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL16267521 0.83 PDE5A (0.71) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL3077928 0.82 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL10252544 0.82 PDE5A (0.77) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL187837 0.82 PDE5A (1.00) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL1900992 0.82 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL29352550 0.82 PDE5A (1.00) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL5365656 0.81 PDE5A (0.65) PDE5AKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed
EP-1331223-B1 Method of treating sepsis YUNG SHIN PHARMACEUTICAL IND (TW) 2008-02-13 EP disclosed