SCHEMBL21376830

SCHEMBL21376830

COc1cc2nc(NC(=O)c3ccc([S+]([O-])N4CCc5ccccc54)cc3)sc2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
POLB P06746 3/20 0.71
SCD O00767 5/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 2/20 0.46
AR P10275 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PDE4B Q07343 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL21376338 0.89 SCD (0.61) MAPTPOLBSCDMEN1KMT2A
SCHEMBL662007 0.83 MAPT (1.00) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL29978725 0.83 MAPT (1.00) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21376342 0.82 MAPT (0.70) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21376333 0.81 NPC1 (0.57) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21376351 0.77 LMNA (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21376339 0.76 MAPT (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21910767 0.76 SCD (0.58) MAPTPOLBSCDMEN1KMT2A
SCHEMBL21376599 0.74 SCD (0.64) MAPTPOLBSCDMEN1KMT2A
SCHEMBL15478801 0.72 SCD (0.62) MAPTPOLBSCDMEN1KMT2A

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-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed