SCHEMBL5329779

SCHEMBL5329779

O=C(O)c1sc(Cc2ccccc2)nc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KLKB1 P03952 1/20 0.41
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CDC7 O00311 1/20 0.40

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
SCHEMBL20894092 0.81 SMN1; SMN2 (0.69) SMN1; SMN2TSHRGAAHPGDKMT2A
SCHEMBL5327218 0.78 PTGDR2 (0.43) SMN1; SMN2PTGDR2KMT2AMEN1ALDH1A1
SCHEMBL18059154 0.74 ALDH1A1 (0.32) TSHRHPGDALDH1A1
SCHEMBL14109405 0.74 SMN1; SMN2 (0.55) SMN1; SMN2TSHRGAAHPGDKMT2A
SCHEMBL27727783 0.73 CDC7 (0.47) SMN1; SMN2HDAC1HDAC6HDAC8PTGDR2
SCHEMBL14109812 0.73 SMN1; SMN2 (0.54) SMN1; SMN2GAAKMT2ANPC1RAB9A
SCHEMBL5551869 0.72 SMN1; SMN2 (0.49) SMN1; SMN2TSHRGAAHPGDKMT2A
SCHEMBL4032013 0.72 KLKB1 (0.56) SMN1; SMN2TSHRGAAHPGDNPC1
SCHEMBL19207619 0.71 TSHR (0.56) SMN1; SMN2HDAC6TSHRKMT2AMEN1
SCHEMBL14345711 0.71 PTGDR2 (0.69) SMN1; SMN2PTGDR2HPGDKMT2AMEN1

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