SCHEMBL9566849

SCHEMBL9566849

CCOc1ccc(NC(=O)c2ccc(COC(C)=O)nc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.63
NPC1 O15118 6/20 0.57
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 6/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.56
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
XDH P47989 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9566825 0.88 P4HTM (0.66) P4HTMNPC1CYP1A2ALDH1A1KDM4E
SCHEMBL9566897 0.88 P4HTM (0.66) P4HTMNPC1CYP1A2ALDH1A1KDM4E
SCHEMBL9566884 0.88 SMN1; SMN2 (0.55) P4HTMALDH1A1KDM4ERAB9AKMT2A
SCHEMBL9566814 0.86 P4HTM (0.47) P4HTMNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL9566777 0.86 P4HTM (0.61) P4HTMNPC1CYP1A2ALDH1A1KDM4E
SCHEMBL9566786 0.85 CXCR2 (0.57) P4HTMNPC1ALDH1A1RAB9A
SCHEMBL9566792 0.85 P4HTM (0.55) P4HTMNPC1ALDH1A1KDM4ERAB9A
SCHEMBL9566883 0.85 CXCR2 (0.52) P4HTMALDH1A1KMT2ALMNAMEN1
SCHEMBL9566758 0.85 NPC1 (0.57) P4HTMNPC1ALDH1A1KDM4ERAB9A
SCHEMBL9566887 0.85 P4HTM (0.69) P4HTMNPC1CYP1A2ALDH1A1KDM4E

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