SCHEMBL8644165

SCHEMBL8644165

O=C1CN(CCCN2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
KMT2A Q03164 2/20 0.60
MDM2 Q00987 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.48

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 SCHEMBL8643749 0.99 TDP1 (0.67) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL7139938 0.86 DRD2 (0.64) TDP1
SCHEMBL8649704 0.84 TDP1 (0.56) TDP1KMT2AMDM2CTDSP1
Hydrochloric Acid SCHEMBL8787330 0.83 TDP1 (0.55) TDP1KMT2AMDM2CTDSP1
SCHEMBL8646533 0.83 TDP1 (0.53) TDP1KMT2AMDM2CTDSP1MEN1
SCHEMBL8648315 0.83 DRD2 (0.56) TDP1KMT2AMDM2CTDSP1MEN1
Hydrochloric Acid SCHEMBL8645737 0.82 DRD2 (0.55) TDP1KMT2AMDM2CTDSP1MEN1
SCHEMBL8648331 0.82 TDP1 (0.53) TDP1KMT2AMDM2CTDSP1
Hydrochloric Acid SCHEMBL8645889 0.81 TDP1 (0.52) TDP1KMT2AMDM2CTDSP1
SCHEMBL6991546 0.80 DRD2 (0.54) TDP1

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