SCHEMBL11245748

SCHEMBL11245748

CNS(=O)(=O)c1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.81
HTT P42858 2/20 0.81
LMNA P02545 2/20 0.81
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50

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
SCHEMBL17907417 0.90 SMN1; SMN2 (1.00) SMN1; SMN2HTTLMNAALDH1A1TSHR
SCHEMBL687206 0.88 SMN1; SMN2 (0.64) SMN1; SMN2HTTLMNAALDH1A1TDP1
SCHEMBL31520571 0.88 SMN1; SMN2 (0.64) SMN1; SMN2HTTLMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL5344901 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNAALDH1A1TDP1
SCHEMBL618681 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HTTLMNAALDH1A1TDP1
SCHEMBL8736878 0.83 SMN1; SMN2 (0.85) SMN1; SMN2HTTLMNAALDH1A1TDP1
SCHEMBL618590 0.83 LMNA (0.85) SMN1; SMN2HTTLMNAALDH1A1GAA
SCHEMBL7009516 0.81 SMN1; SMN2 (0.81) SMN1; SMN2HTTLMNAALDH1A1GAA
SCHEMBL28750635 0.81 SMN1; SMN2 (0.81) SMN1; SMN2HTTLMNAALDH1A1GAA
SCHEMBL11237994 0.81 CA12 (0.60) SMN1; SMN2HTTLMNAALDH1A1TDP1

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-4337274-A Flukicidal compounds BURROUGHS WELLCOME CO. (US) 1982-06-29 US claimed
US-4337274-A Flukicidal compounds BURROUGHS WELLCOME CO. (US) 1982-06-29 US disclosed