SCHEMBL9846304

SCHEMBL9846304

CCc1cc(NCc2c(OC)ccnc2OC)c(=O)[nH]c1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
PDE10A Q9Y233 11/20 0.40
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
APAF1 O14727 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9170296 0.83 KDM4E (0.44) PDE3BPDE3APDE10AKDM4EMAPT
SCHEMBL9846107 0.81 PDE3B (0.41) PDE3BPDE3AKDM4EMAPTAPAF1
SCHEMBL9846383 0.78 PDE3B (0.43) PDE3BPDE3APDE10AKDM4EMAPT
SCHEMBL27337641 0.75 POLB (0.49) PDE3BPDE3AKDM4EMAPT
SCHEMBL9278136 0.75 MAPT (0.51) PDE3BPDE3AKDM4EMAPT
SCHEMBL9283645 0.75 MAPT (0.48) PDE3BPDE3APDE10AKDM4EMAPT
SCHEMBL9846175 0.75 PDE3B (0.38) PDE3BPDE3APDE10AKDM4EMAPT
SCHEMBL9846139 0.75 CYP2C9 (0.37) PDE3BPDE3APDE10AKDM4EMAPT
SCHEMBL9168694 0.75 PDE3B (0.42) PDE3BPDE3AKDM4EMAPTAPAF1
SCHEMBL9333881 0.74 MAPT (0.35) PDE3BPDE3AKDM4EMAPTAPAF1

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed