SCHEMBL9566832

SCHEMBL9566832

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.48
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
P4HTM Q9NXG6 3/20 0.46
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
CXCR2 P25025 3/20 0.39
RAB9A P51151 1/20 0.39
CXCR1 P25024 1/20 0.39

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
SCHEMBL9566862 0.89 ABL1 (0.51) ABL1HTTKMT2ASMN1; SMN2P4HTM
SCHEMBL9566768 0.88 P4HTM (0.46) ABL1HTTKMT2ASMN1; SMN2P4HTM
SCHEMBL9566771 0.86 P4HTM (0.44) HTTKMT2ASMN1; SMN2P4HTMHIF1A
SCHEMBL9566780 0.86 KMT2A (0.45) HTTKMT2ASMN1; SMN2P4HTMHIF1A
SCHEMBL9566765 0.86 P4HTM (0.49) ABL1HTTKMT2ASMN1; SMN2P4HTM
SCHEMBL9566855 0.84 RAB9A (0.50) HTTKMT2ASMN1; SMN2P4HTMLMNA
SCHEMBL9566747 0.83 P4HTM (0.44) HTTKMT2ASMN1; SMN2P4HTMHIF1A
SCHEMBL9519377 0.83 P4HTM (0.45) P4HTM
SCHEMBL9566887 0.80 P4HTM (0.69) KMT2ASMN1; SMN2P4HTMLMNAKDM4E
SCHEMBL9566803 0.78 P4HTM (0.66) KMT2ASMN1; SMN2P4HTMLMNAKDM4E

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