SCHEMBL9566838

SCHEMBL9566838

CC(=O)OCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 5/20 0.53
KIT P10721 7/20 0.52
MAPK14 Q16539 7/20 0.52
KDR P35968 6/20 0.52
LCK P06239 4/20 0.51
CSF1R P07333 2/20 0.51
SRC P12931 2/20 0.50
TEK Q02763 1/20 0.50

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
SCHEMBL9566885 0.90 MAPT (0.54) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566781 0.89 MEN1 (0.61) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566839 0.88 MEN1 (0.57) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566801 0.87 MAPT (0.56) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL12020926 0.85 MAPT (0.56) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566901 0.84 KMT2A (0.62) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566807 0.84 P4HTM (0.59) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9566750 0.83 MEN1 (0.54) MAPTMEN1TSHRKMT2AKDM4E
SCHEMBL9566758 0.83 NPC1 (0.57) MEN1KMT2AKDM4ESMN1; SMN2RXFP1
SCHEMBL9566814 0.80 P4HTM (0.47) MAPTMEN1KMT2ASMN1; 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