SCHEMBL17589058

SCHEMBL17589058

CN(C)C(O)OCc1cncs1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
CYP3A4 P08684 4/20 0.35
SLC6A3 Q01959 3/20 0.35
HTT P42858 2/20 0.35
ACACB O00763 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL272571 0.70
SCHEMBL15241323 0.70
SCHEMBL14162629 0.68 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL14451325 0.66
SCHEMBL740847 0.66
SCHEMBL3052817 0.66
SCHEMBL5074460 0.66 TDP1 (0.58) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL13327032 0.66 RAB9A (0.41) RAB9ANPC1SMN1; SMN2PARP15PARP10
Hydrochloric Acid SCHEMBL5073886 0.65 TDP1 (0.56) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL5540669 0.64 RAB9A (0.54) RAB9ANPC1SMN1; SMN2PARP15PARP10

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-2235008-B1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed