SCHEMBL9566839

SCHEMBL9566839

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COC(=O)c2ccccc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 2/20 0.56
KCNK3 O14649 1/20 0.56
RXFP1 Q9HBX9 6/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LCK P06239 1/20 0.52
TEK Q02763 1/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
GAA P10253 1/20 0.50
CSF1R P07333 1/20 0.50
MPO P05164 1/20 0.49

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
SCHEMBL12020926 0.88 MAPT (0.56) MEN1TSHRKMT2AMAPTKCNK3
SCHEMBL9566838 0.88 MAPT (0.56) MEN1TSHRKMT2AMAPTRXFP1
SCHEMBL9566885 0.87 MAPT (0.54) MEN1TSHRKMT2AMAPTRXFP1
SCHEMBL9566750 0.87 MEN1 (0.54) MEN1TSHRKMT2AMAPTKCNK3
SCHEMBL9566781 0.86 MEN1 (0.61) MEN1TSHRKMT2AMAPTRXFP1
SCHEMBL9566801 0.84 MAPT (0.56) MEN1TSHRKMT2AMAPTRXFP1
SCHEMBL9566901 0.83 KMT2A (0.62) MEN1TSHRKMT2AMAPTKCNK3
SCHEMBL12020443 0.80 NPC1 (0.51) MEN1TSHRKMT2AMAPTRXFP1
SCHEMBL4683413 0.78 KCNK3 (0.88) MEN1TSHRKMT2AMAPTKCNK3
SCHEMBL9566799 0.77 CXCR2 (0.53) MEN1KMT2ARXFP1LMNASMN1; SMN2

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