SCHEMBL8648331

SCHEMBL8648331

O=C1CN(CCCN2CCC(OCc3ccccc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
BCHE P06276 10/20 0.51
CARM1 Q86X55 3/20 0.47
PRMT6 Q96LA8 3/20 0.47
PRMT8 Q9NR22 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MDM2 Q00987 1/20 0.46
KMT2A Q03164 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PRMT3 O60678 1/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39

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
Hydrochloric Acid SCHEMBL8645889 0.99 TDP1 (0.52) TDP1BCHECARM1PRMT6PRMT8
SCHEMBL8648721 0.85 TDP1 (0.49) TDP1CARM1PRMT6MDM2KMT2A
Hydrochloric Acid SCHEMBL8645866 0.84 TDP1 (0.48) TDP1CARM1PRMT6MDM2KMT2A
SCHEMBL8649704 0.84 TDP1 (0.56) TDP1CARM1PRMT6PRMT8TMEM97
Ethylene SCHEMBL8643250 0.84 TDP1 (0.47) TDP1CARM1PRMT6MDM2KMT2A
Hydrochloric Acid SCHEMBL8787330 0.83 TDP1 (0.55) TDP1TMEM97SIGMAR1MDM2KMT2A
SCHEMBL8644165 0.82 TDP1 (0.68) TDP1MDM2KMT2ACTDSP1
Hydrochloric Acid SCHEMBL8643749 0.81 TDP1 (0.67) TDP1MDM2KMT2ACTDSP1
SCHEMBL8644528 0.78 TDP1 (0.58) TDP1CARM1PRMT6PRMT8SIGMAR1
SCHEMBL7139938 0.77 DRD2 (0.64) TDP1DRD2DRD4DRD5DRD3

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