SCHEMBL5268920

SCHEMBL5268920

O=C(NCc1ccccc1)c1n[nH]cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
SLC16A3 O15427 2/20 0.47
MCL1 Q07820 4/20 0.46
BCL2A1 Q16548 2/20 0.46
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GLO1 Q04760 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 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
SCHEMBL5269255 0.90 RAB9A (0.51) SLC16A3MCL1BCL2A1BCL2BCL2L1
SCHEMBL5268485 0.88 KCNA5 (0.51) KCNA5MEN1KMT2ANPC1ALDH1A1
SCHEMBL5269046 0.86 KCNA5 (0.50) KCNA5MCL1BCL2A1MEN1KMT2A
SCHEMBL5271844 0.85 ALDH1A1 (0.52) KCNA5KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL5269276 0.85 ALDH1A1 (0.53) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL5266472 0.85 ALDH1A1 (0.53) KCNA5SLC16A3KEAP1NFE2L2MEN1
SCHEMBL5268598 0.85 KCNA5 (0.63) KCNA5MEN1KMT2AALDH1A1TP53
SCHEMBL5267563 0.85 KCNA5 (0.49) KCNA5MCL1BCL2A1BCL2BCL2L1
SCHEMBL5270827 0.85 KMT2A (0.58) KCNA5KEAP1NFE2L2POLBMEN1
SCHEMBL5272580 0.84 ALOX15 (0.49) KCNA5MCL1POLBMEN1KMT2A

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