SCHEMBL9566776

SCHEMBL9566776

CN(C)c1ccc(NC(=O)c2ccc(CO)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 2/20 0.66
▸ MAPT P10636 8/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ MCL1 Q07820 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TP53 P04637 1/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 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
SCHEMBL9566791 0.86 P4HTM (0.62) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566788 0.84 P4HTM (0.59) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566812 0.84 P4HTM (0.59) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL30828577 0.83 P4HTM (0.72) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL30828579 0.83 P4HTM (0.72) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566833 0.82 P4HTM (0.63) P4HTMALDH1A1KMT2ACXCR1CXCR2
SCHEMBL9566835 0.82 P4HTM (0.63) P4HTMMAPTALDH1A1RAB9ALMNA
SCHEMBL9566802 0.81 NPC1 (0.67) P4HTMMAPTALDH1A1RAB9AMEN1
SCHEMBL9566803 0.81 P4HTM (0.66) P4HTMMAPTALDH1A1RAB9ALMNA
SCHEMBL9566887 0.80 P4HTM (0.69) P4HTMMAPTALDH1A1RAB9ALMNA

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
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