SCHEMBL8646533

SCHEMBL8646533

O=C1CN(CCCN2CCOCC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
MDM2 Q00987 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HTR1A P08908 6/20 0.46
DRD2 P14416 7/20 0.46
HTR6 P50406 5/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
DRD5 P21918 2/20 0.46
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 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
Fumaric Acid SCHEMBL8649177 0.92 TDP1 (0.49) TDP1SMN1; SMN2TSHRKMT2AMDM2
Fumaric Acid SCHEMBL8649180 0.92 TDP1 (0.49) TDP1SMN1; SMN2TSHRKMT2AMDM2
SCHEMBL7139938 0.85 DRD2 (0.64) TDP1HTR1ADRD2HTR6DRD4
SCHEMBL8644165 0.83 TDP1 (0.68) TDP1KMT2AMDM2CTDSP1MEN1
SCHEMBL8645313 0.82 TDP1 (0.50) TDP1SMN1; SMN2TSHRKMT2AMDM2
Hydrochloric Acid SCHEMBL8643749 0.82 TDP1 (0.67) TDP1KMT2AMDM2CTDSP1MEN1
SCHEMBL6991546 0.82 DRD2 (0.54) TDP1HTR1ADRD2HTR6DRD4
SCHEMBL8786790 0.81 HTR7 (0.56) TDP1KMT2AMDM2CTDSP1HTR1A
Hydrochloric Acid SCHEMBL8787804 0.81 HTR7 (0.55) TDP1KMT2AMDM2CTDSP1HTR1A
SCHEMBL8648315 0.80 DRD2 (0.56) TDP1KMT2AMDM2CTDSP1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed