SCHEMBL9566844

SCHEMBL9566844

CCCC(=O)OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
P4HTM Q9NXG6 2/20 0.47
MAPT P10636 2/20 0.46
CXCR2 P25025 4/20 0.45
CXCR1 P25024 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
PAX8 Q06710 1/20 0.44
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43

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
SCHEMBL9566747 0.91 P4HTM (0.44) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566814 0.88 P4HTM (0.47) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566787 0.85 P4HTM (0.53) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566891 0.85 P4HTM (0.49) SMN1; SMN2NPC1P4HTMMAPTCXCR2
SCHEMBL9566793 0.83 KMT2A (0.48) SMN1; SMN2NPC1RAB9AP4HTMCXCR2
SCHEMBL9566862 0.82 ABL1 (0.51) SMN1; SMN2P4HTMKMT2AMEN1LMNA
SCHEMBL9566782 0.81 P4HTM (0.55) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566871 0.79 RAB9A (0.53) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566771 0.78 P4HTM (0.44) SMN1; SMN2NPC1RAB9AP4HTMMAPT
SCHEMBL9566849 0.76 P4HTM (0.63) SMN1; SMN2NPC1RAB9AP4HTMMAPT

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