SCHEMBL9656751

SCHEMBL9656751

Cc1cc(COc2ccc(Oc3ccc(Oc4ccc(Cl)cc4)cc3)cc2)n(O)c(=O)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.69
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
Rilopirox SCHEMBL219251 1.00 IDH1 (0.69) IDH1MAPTKDM4ENPC1ALDH1A1
SCHEMBL10726777 0.96 IDH1 (0.74) IDH1MAPTKDM4ENPC1ALDH1A1
SCHEMBL10563264 0.95 IDH1 (0.63) IDH1
SCHEMBL9657972 0.91 IDH1 (0.67) IDH1MAPTKDM4ENPC1ALDH1A1
SCHEMBL9656734 0.91 IDH1 (0.67) IDH1
SCHEMBL14140191 0.90 IDH1 (0.66) IDH1
SCHEMBL9657423 0.89 IDH1 (0.55) IDH1
SCHEMBL9657355 0.89 IDH1 (0.64) IDH1MAPTKDM4ENPC1ALDH1A1
SCHEMBL9656703 0.88 IDH1 (0.54) IDH1
SCHEMBL1856742 0.88 IDH1 (0.60) IDH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241918-B1 1-HYDROXY-2-PYRIDINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM, AS WELL AS INTERMEDIATES FORMED BY THE PREPARATION OF 1-HYDROXY-2-PYRIDINONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4797409-A FUNGICIDES, YEAST INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0241918-A2 1-Hydroxy-2-pyridinones, process for their preparation and medicines containing them, as well as intermediates formed by the preparation of 1-hydroxy-2-pyridinones HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-21 EP disclosed