SCHEMBL5268835

SCHEMBL5268835

O=C(NCc1ccco1)c1n[nH]cc1NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 9/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 3/20 0.43
ESR1 P03372 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5270590 0.86 ALDH1A1 (0.53) HPGDKMT2AMEN1KDM4EALDH1A1
SCHEMBL5265874 0.86 SLC16A3 (0.48) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL5269241 0.84 POLB (0.53) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5269276 0.83 ALDH1A1 (0.53) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5272599 0.81 TSHR (0.51) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5268265 0.81 TDP1 (0.47) HPGDALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5269115 0.80 HPGD (0.48) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL5266859 0.80 POLB (0.52) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5268351 0.80 ALDH1A1 (0.53) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5269985 0.80 MAPT (0.49) HPGDKMT2AMEN1HTTKDM4E

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