SCHEMBL9566801

SCHEMBL9566801

CCOCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 6/20 0.53
LCK P06239 4/20 0.51
KIT P10721 3/20 0.51
MAPK14 Q16539 3/20 0.51
KDR P35968 2/20 0.51
CSF1R P07333 1/20 0.51
SRC P12931 2/20 0.50
TEK Q02763 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL9566781 0.89 MEN1 (0.61) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566750 0.88 MEN1 (0.54) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566885 0.88 MAPT (0.54) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566838 0.87 MAPT (0.56) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL12020926 0.85 MAPT (0.56) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566901 0.84 KMT2A (0.62) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566839 0.84 MEN1 (0.57) MAPTMEN1KMT2ATSHRKDM4E
SCHEMBL9566795 0.84 P4HTM (0.59) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9566737 0.83 NPC1 (0.57) MEN1KMT2AKDM4ESMN1; SMN2RXFP1
SCHEMBL14149411 0.80 KIF11 (0.51) MAPTSMN1; SMN2RXFP1ALDH1A1

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