SCHEMBL5360243

SCHEMBL5360243

O=C(O)c1sc(Nc2cccc3cccnc23)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
TDP1 Q9NUW8 4/20 0.47
KDR P35968 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NFKBIA P25963 1/20 0.44
RELA Q04206 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
PLEC Q15149 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL4914715 0.85 ALDH1A1 (0.48) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL5363055 0.84 EGLN1 (0.51) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL5360442 0.73 MAPT (0.61) TDP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5365460 0.72 TSHR (0.50) TDP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10505456 0.72 ALDH1A1 (0.60) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL5359196 0.72 EGLN1 (0.50) HDAC6KDRMEN1KMT2AMAPT
SCHEMBL379216 0.71 GLO1 (0.59) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL19631407 0.70 HDAC6 (0.75) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL29851236 0.69 KDR (0.71) HDAC6TDP1KDRMEN1KMT2A
SCHEMBL1695444 0.69 KDR (0.71) HDAC6TDP1KDRMEN1KMT2A

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