SCHEMBL5353049

SCHEMBL5353049

O=C(NCc1ccccc1)c1sc(Nc2ccc3occc3c2)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
SCD O00767 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DHODH Q02127 3/20 0.39
MAOB P27338 2/20 0.39
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
DYRK1A Q13627 1/20 0.38

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
SCHEMBL5354125 0.88 MEN1 (0.50) MEN1LMNAALOX12KMT2ANPSR1
SCHEMBL5353754 0.83 DHODH (0.40) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL5365211 0.79 CDC7 (0.55) PTGS2SCDMEN1LMNAALOX12
SCHEMBL5355961 0.75 DHODH (0.53) MEN1LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL3316055 0.73 PTGS2 (0.59) PTGS2SCDKMT2AALDH1A1SMN1; SMN2
SCHEMBL4929889 0.72 DHODH (0.53) MEN1LMNAKMT2ANPSR1ALDH1A1
SCHEMBL4929895 0.72 SCD (0.64) SCDMEN1LMNAKMT2ANPSR1
SCHEMBL5354225 0.71 MAPT (0.57) SCDMEN1LMNAKMT2ANPSR1
SCHEMBL5364912 0.71 KMT2A (0.67) PTGS2SCDMEN1LMNAALOX12
SCHEMBL5420599 0.70 MEN1 (0.52) MEN1LMNAKMT2ANPSR1ALDH1A1

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