SCHEMBL9680284

SCHEMBL9680284

CCc1cc(CNc2cc(C(C)O)c(C)[nH]c2=O)c(OC)nc1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 4/20 0.32
APAF1 O14727 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 2/20 0.31
PDE9A O76083 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL9680313 1.00 PDE1A (0.32) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9246243 0.88 PDE1A (0.32) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9333881 0.86 MAPT (0.35) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9246249 0.80 MAPT (0.32) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9681299 0.80 MAPT (0.35) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9846122 0.79 KDM4C (0.33) MAPTKDM4EAPAF1RECQLGAA
SCHEMBL9281981 0.78 MAPT (0.37) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9846283 0.78 MAPT (0.35) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9846154 0.75 MAPT (0.38) PDE1APDE1BPDE1CMAPTKDM4E
SCHEMBL9681421 0.72 MAPT (0.37) MAPTKDM4EAPAF1RECQLGAA

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed