SCHEMBL9566862

SCHEMBL9566862

O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(CO)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.51
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
P4HTM Q9NXG6 2/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PAX8 Q06710 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL9566832 0.89 ABL1 (0.48) ABL1KMT2ATRPV1HTTSMN1; SMN2
SCHEMBL9566891 0.87 P4HTM (0.49) KMT2AHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL9566787 0.85 P4HTM (0.53) KMT2AHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL9566793 0.85 KMT2A (0.48) KMT2AHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL9566814 0.85 P4HTM (0.47) KMT2AHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL9566887 0.84 P4HTM (0.69) KMT2ASMN1; SMN2P4HTMMEN1LMNA
SCHEMBL9566871 0.82 RAB9A (0.53) KMT2ASMN1; SMN2P4HTMMEN1LMNA
SCHEMBL9566803 0.82 P4HTM (0.66) KMT2ASMN1; SMN2P4HTMMEN1LMNA
SCHEMBL9566844 0.82 SMN1; SMN2 (0.47) KMT2AHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL9566852 0.81 P4HTM (0.55) KMT2AP4HTMMEN1LMNA

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