SCHEMBL14284591

SCHEMBL14284591

COc1ccnc(C(=O)Nc2cccc(Oc3ccccc3Cl)c2)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
GRM4 Q14833 4/20 0.51
HDAC6 Q9UBN7 1/20 0.49
PNLIP P16233 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
KDR P35968 3/20 0.46
PDGFRA P16234 1/20 0.46
PARG Q86W56 1/20 0.45
POLB P06746 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL14284584 0.91 GRM4 (0.52) KDM4EMAPTHTTGRM4MEN1
SCHEMBL14284600 0.89 MEN1 (0.53) MAPTHTTGRM4HDAC6PNLIP
SCHEMBL5583770 0.89 GRM4 (0.52) KDM4EMAPTHTTGRM4MEN1
SCHEMBL14284574 0.88 GRM4 (0.49) KDM4EMAPTHTTGRM4MEN1
SCHEMBL5583775 0.88 PNLIP (0.58) MAPTGRM4HDAC6PNLIPPARG
SCHEMBL14284598 0.88 PNLIP (0.52) KDM4EMAPTHTTGRM4PNLIP
SCHEMBL14284596 0.87 GRM4 (0.55) KDM4EMAPTHTTGRM4MEN1
SCHEMBL14284587 0.86 PDGFRA (0.53) KDM4EMAPTHTTGRM4MEN1
SCHEMBL14284571 0.85 KCNK3 (0.49) KDM4EMAPTHTTGRM4MEN1
SCHEMBL17706510 0.85 AR (0.51) KDM4EMAPTHTTGRM4KMT2A

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed