SCHEMBL9846383

SCHEMBL9846383

CCc1cc(NCc2c(OC)cc(F)cc2OC)c(=O)[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.43
PDE3A Q14432 8/20 0.43
IDH1 O75874 4/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
APAF1 O14727 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.33
PDE10A Q9Y233 2/20 0.33
P2RX7 Q99572 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33

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 0.86 KDM4E (0.44) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL9846107 0.81 PDE3B (0.41) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL9168694 0.80 PDE3B (0.42) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL9846165 0.79 PDE3B (0.41) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL9846304 0.78 PDE3B (0.41) PDE3BPDE3AMAPTKDM4EAPAF1
SCHEMBL9283645 0.78 MAPT (0.48) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL27337641 0.78 POLB (0.49) PDE3BPDE3AMAPTKDM4EGAA
SCHEMBL9278136 0.78 MAPT (0.51) PDE3BPDE3AIDH1MAPTKDM4E
SCHEMBL9846175 0.77 PDE3B (0.38) PDE3BPDE3AMAPTKDM4EAPAF1
SCHEMBL9164330 0.77 MAPT (0.41) PDE3BPDE3AMAPTKDM4EAPAF1

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