SCHEMBL9566812

SCHEMBL9566812

CCOCc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.59
MAPT P10636 7/20 0.55
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 4/20 0.55
MCL1 Q07820 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 1/20 0.49
MAPK1 P28482 2/20 0.48
GFER P55789 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NAMPT P43490 1/20 0.46
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45

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
SCHEMBL9566798 0.89 MAPT (0.60) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566791 0.88 P4HTM (0.62) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566837 0.86 P4HTM (0.58) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566788 0.86 P4HTM (0.59) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566868 0.85 CXCR2 (0.60) P4HTMALDH1A1RAB9ANPC1CXCR1
SCHEMBL9566825 0.85 P4HTM (0.66) P4HTMMAPTALDH1A1RAB9AKDM4E
SCHEMBL9566769 0.85 KDM4E (0.57) P4HTMMAPTALDH1A1RAB9AKDM4E
SCHEMBL9566737 0.85 NPC1 (0.57) P4HTMALDH1A1RAB9AKDM4EMEN1
SCHEMBL9566782 0.84 P4HTM (0.55) P4HTMMAPTALDH1A1RAB9AMCL1
SCHEMBL9566776 0.84 P4HTM (0.66) P4HTMMAPTALDH1A1RAB9AMCL1

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