SCHEMBL9566814

SCHEMBL9566814

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCR2 P25025 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
PAX8 Q06710 1/20 0.45
NR3C1 P04150 1/20 0.44
MAPT P10636 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
SCHEMBL9566771 0.90 P4HTM (0.44) P4HTMSMN1; SMN2KMT2ACXCR2HTT
SCHEMBL9566891 0.89 P4HTM (0.49) P4HTMSMN1; SMN2KMT2ACXCR2HTT
SCHEMBL9566844 0.88 SMN1; SMN2 (0.47) P4HTMSMN1; SMN2KMT2ACXCR2HTT
SCHEMBL9566787 0.87 P4HTM (0.53) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566793 0.87 KMT2A (0.48) P4HTMSMN1; SMN2KMT2ACXCR2HTT
SCHEMBL9566849 0.86 P4HTM (0.63) P4HTMSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9566862 0.85 ABL1 (0.51) P4HTMSMN1; SMN2KMT2AHTTHIF1A
SCHEMBL9566786 0.84 CXCR2 (0.57) P4HTMCXCR2NPC1RAB9A
SCHEMBL9566883 0.83 CXCR2 (0.52) P4HTMKMT2ACXCR2MEN1LMNA
SCHEMBL9517044 0.83 P4HTM (0.47) P4HTMSMN1; SMN2KMT2ANPC1RAB9A

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