SCHEMBL9566835

SCHEMBL9566835

O=C(Nc1ccc(Cl)cc1)c1ccc(CO)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.63
KDM4E B2RXH2 4/20 0.57
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
KCNE1 P15382 1/20 0.56
KCNQ1 P51787 1/20 0.56
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 5/20 0.53
NT5E P21589 1/20 0.53
MAPK1 P28482 1/20 0.53
NAMPT P43490 1/20 0.52
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL9566833 0.85 P4HTM (0.63) P4HTMKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9566802 0.85 NPC1 (0.67) P4HTMKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL9566851 0.83 P4HTM (0.58) P4HTMKDM4EKCNQ3KCNQ2KCNE1
SCHEMBL9566797 0.83 P4HTM (0.67) P4HTMKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9566803 0.82 P4HTM (0.66) P4HTMKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL9566776 0.82 P4HTM (0.66) P4HTMKDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL1986996 0.81 KCNQ3 (0.82) P4HTMKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9566769 0.81 KDM4E (0.57) P4HTMKDM4EKCNQ3KCNQ2KCNE1
SCHEMBL9566792 0.81 P4HTM (0.55) P4HTMKDM4EKCNQ3KCNQ2KCNE1
SCHEMBL9566887 0.81 P4HTM (0.69) P4HTMKDM4ERAB9ASMN1; SMN2KMT2A

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