SCHEMBL9566892

SCHEMBL9566892

CCCCCCOc1ccc(NC(=O)c2ccc(COCc3ccccc3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
FAAH O00519 6/20 0.52
RAB9A P51151 3/20 0.52
NR1H4 Q96RI1 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 1/20 0.51
STAT3 P40763 1/20 0.51
PLA2G4B P0C869 1/20 0.48
P4HTM Q9NXG6 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 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
SCHEMBL9566796 0.89 LMNA (0.56) PLK1FAAHRAB9ANR1H4SMN1; SMN2
SCHEMBL9566861 0.89 P4HTM (0.61) RAB9ASMN1; SMN2NPC1LMNAP4HTM
SCHEMBL9566764 0.87 TRPV1 (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9566821 0.86 NR1H4 (0.54) PLK1FAAHRAB9ANR1H4SMN1; SMN2
SCHEMBL9566867 0.86 LMNA (0.57) PLK1FAAHRAB9ANR1H4SMN1; SMN2
SCHEMBL9566751 0.84 NPC1 (0.52) PLK1RAB9ANR1H4SMN1; SMN2NPC1
SCHEMBL9566756 0.84 RAB9A (0.57) RAB9ANR1H4SMN1; SMN2NPC1LMNA
SCHEMBL9566884 0.84 SMN1; SMN2 (0.55) PLK1FAAHRAB9ANR1H4SMN1; SMN2
SCHEMBL9566790 0.83 LMNA (0.59) FAAHRAB9ANR1H4SMN1; SMN2NPC1
SCHEMBL9566871 0.82 RAB9A (0.53) RAB9ANR1H4SMN1; SMN2NPC1LMNA

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