SCHEMBL2828391

SCHEMBL2828391

CCn1nc(C(=O)O)c(C2CCc3ccccc32)c(Nc2cnccc2C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 16/20 0.40
KDM5A P29375 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NR3C1 P04150 1/20 0.34
KDM6B O15054 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL2826467 0.86 ALDH1A1 (0.38) KDM4CKDM5AKDM5BALDH1A1HTT
SCHEMBL2829340 0.76 KDM4C (0.41) KDM4CKDM5AKDM6B
SCHEMBL2828120 0.76 KDM4C (0.38) KDM4CALDH1A1KDM6B
SCHEMBL1997947 0.75 PDE4B (0.45) KDM4CKDM6B
SCHEMBL2825391 0.74 KDM4C (0.40) KDM4CKDM6B
SCHEMBL2828862 0.74 KDM4C (0.38) KDM4C
SCHEMBL1996126 0.73 KDM4C (0.36) KDM4CKDM5AKDM5BALDH1A1NR3C1
SCHEMBL2826007 0.72 KDM4C (0.35) KDM4C
SCHEMBL2828388 0.72 PDE4B (0.39) KDM4CALDH1A1
SCHEMBL4054444 0.72 PDE4B (0.56) KDM4C

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-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed