SCHEMBL9566745

SCHEMBL9566745

CC(C)C(=O)OCc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.53
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.44
HTT P42858 1/20 0.44
NT5E P21589 1/20 0.44
MAPK1 P28482 1/20 0.44
CXCR1 P25024 1/20 0.43

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
SCHEMBL9566759 0.88 CXCR2 (0.55) P4HTMRAB9ANPC1ALDH1A1CXCR1
SCHEMBL9566792 0.88 P4HTM (0.55) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566888 0.86 P4HTM (0.57) P4HTMSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9566851 0.85 P4HTM (0.58) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566769 0.83 KDM4E (0.57) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL12020925 0.80 P4HTM (0.57) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566835 0.79 P4HTM (0.63) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566866 0.79 KDM4E (0.56) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566848 0.78 P4HTM (0.55) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL9566733 0.78 MEN1 (0.66) P4HTMKDM4ESMN1; SMN2RAB9AKMT2A

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-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed