SCHEMBL6028752

SCHEMBL6028752

Cc1ccc(-c2nn(Cc3nncn3C)c3ccccc23)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.67
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 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
BLM P54132 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
SCHEMBL5557997 0.85 PDE5A (0.67) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5564260 0.80 PDE5A (1.00) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL17199435 0.76 PDE5A (0.81) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL17183866 0.74 PDE5A (0.76) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL30694993 0.74 PDE5A (0.76) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL27661131 0.68 PDE5A (0.75) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5564745 0.68 PDE5A (0.67) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5559735 0.67 PDE5A (0.65) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL10252544 0.66 PDE5A (0.77) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5558187 0.66 PDE5A (0.68) PDE5AKDM4EALDH1A1RAB9ASMN1; SMN2

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-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP claimed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO claimed