SCHEMBL9566831

SCHEMBL9566831

O=C(Nc1ccccc1F)c1ccc(CO)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.65
HTT P42858 2/20 0.55
GLA P06280 1/20 0.55
RAB9A P51151 12/20 0.55
NPC1 O15118 9/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
AHR P35869 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
SCHEMBL9566856 0.84 P4HTM (0.60) P4HTMHTTGLARAB9ANPC1
SCHEMBL12020358 0.83 RAB9A (0.66) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566899 0.82 P4HTM (0.57) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566827 0.82 P4HTM (0.57) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566783 0.81 RAB9A (0.63) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566794 0.81 MEN1 (0.74) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL4073255 0.80 MDM4 (0.70) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566802 0.80 NPC1 (0.67) P4HTMHTTRAB9ANPC1MEN1
SCHEMBL9566842 0.79 SENP7 (0.53) P4HTMHTTGLARAB9ANPC1
SCHEMBL9566833 0.77 P4HTM (0.63) P4HTMKMT2AALDH1A1

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