SCHEMBL5267563

SCHEMBL5267563

O=C(NCc1ccccc1)c1n[nH]cc1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SGMS1 Q86VZ5 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SCN3A Q9NY46 1/20 0.45
MCL1 Q07820 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
BCL2A1 Q16548 1/20 0.44
PKM P14618 1/20 0.44
AR P10275 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL5268485 0.92 KCNA5 (0.51) KCNA5TP53MAPTGAAMEN1
SCHEMBL5269046 0.90 KCNA5 (0.50) KCNA5MAPTGAAMEN1KMT2A
SCHEMBL5266973 0.89 RAB9A (0.54) MAPTSMN1; SMN2SGMS1ALDH1A1MCL1
SCHEMBL5270827 0.89 KMT2A (0.58) KCNA5TP53MAPTGAASMN1; SMN2
SCHEMBL5268598 0.89 KCNA5 (0.63) KCNA5TP53MAPTGAASGMS1
SCHEMBL5266472 0.89 ALDH1A1 (0.53) KCNA5TP53MAPTSMN1; SMN2SGMS1
SCHEMBL5272580 0.88 ALOX15 (0.49) KCNA5TP53MAPTGAAMEN1
SCHEMBL5271844 0.87 ALDH1A1 (0.52) KCNA5TP53MAPTGAASMN1; SMN2
SCHEMBL5271580 0.86 KCNA5 (0.47) KCNA5MAPTGAAMEN1KMT2A
SCHEMBL5270875 0.85 HTT (0.50) KCNA5TP53GAASMN1; SMN2MEN1

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed