SCHEMBL5269985

SCHEMBL5269985

O=C(NCc1ccco1)c1n[nH]cc1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 4/20 0.49
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5269241 0.91 POLB (0.53) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5266859 0.90 POLB (0.52) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5269055 0.90 TSHR (0.57) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5268351 0.90 ALDH1A1 (0.53) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5272599 0.89 TSHR (0.51) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5270791 0.88 MAPT (0.50) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5272917 0.88 RAB9A (0.57) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5268204 0.87 TSHR (0.47) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5267126 0.87 ALDH1A1 (0.50) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL5269115 0.87 HPGD (0.48) MAPTALDH1A1KMT2AMEN1POLB

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