SCHEMBL5360442

SCHEMBL5360442

COc1ccccc1Nc1nc(Br)c(C(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 4/20 0.55
PTGDR2 Q9Y5Y4 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 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
SCHEMBL4924626 0.86 MAPT (0.76) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5354225 0.84 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5360478 0.84 GAA (0.69) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14345640 0.81 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5412989 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4402426 0.79 GAA (0.69) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5392676 0.77 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4926060 0.76 MAPT (1.00) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2878304 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4919978 0.75 MAPT (0.67) MAPTALDH1A1MEN1KMT2AKDM4E

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed