SCHEMBL9566787

SCHEMBL9566787

CCOCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.53
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
GAA P10253 1/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL9566765 0.90 P4HTM (0.49) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566891 0.89 P4HTM (0.49) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566825 0.89 P4HTM (0.66) P4HTMKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL9566814 0.87 P4HTM (0.47) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566793 0.87 KMT2A (0.48) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566871 0.86 RAB9A (0.53) P4HTMKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL9566844 0.85 SMN1; SMN2 (0.47) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566862 0.85 ABL1 (0.51) P4HTMKMT2ALMNAMEN1PAX8
SCHEMBL9566868 0.84 CXCR2 (0.60) P4HTMNPC1RAB9AALDH1A1
SCHEMBL9566753 0.83 CXCR2 (0.54) P4HTMKMT2ALMNAMEN1RAB9A

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