SCHEMBL9566780

SCHEMBL9566780

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
P4HTM Q9NXG6 3/20 0.44
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
LMNA P02545 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CXCR2 P25025 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.39
CXCR1 P25024 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL9566768 0.90 P4HTM (0.46) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566793 0.90 KMT2A (0.48) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566771 0.88 P4HTM (0.44) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566765 0.88 P4HTM (0.49) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566832 0.86 ABL1 (0.48) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9515580 0.86 P4HTM (0.43) P4HTMMAPTTP53
SCHEMBL9566747 0.85 P4HTM (0.44) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566855 0.83 RAB9A (0.50) KMT2ASMN1; SMN2HTTP4HTMLMNA
SCHEMBL9566891 0.79 P4HTM (0.49) KMT2ASMN1; SMN2HTTP4HTMHIF1A
SCHEMBL9566814 0.77 P4HTM (0.47) KMT2ASMN1; SMN2HTTP4HTMHIF1A

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