SCHEMBL8160271

SCHEMBL8160271

C[N+]1([O-])CCN(c2nc(-c3ccc(C(=O)O)cc3F)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FAAH O00519 2/20 0.44
DNM1L O00429 2/20 0.43
AR P10275 7/20 0.43
SIRT5 Q9NXA8 1/20 0.40
EIF4E P06730 1/20 0.39
PLAU P00749 1/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL8154164 0.89 AR (0.45) SMN1; SMN2NPC1RAB9AFAAHDNM1L
SCHEMBL1935260 0.85 FAAH (0.48) SMN1; SMN2NPC1RAB9AFAAHDNM1L
Hydrochloric Acid SCHEMBL29565681 0.84 FAAH (0.48) SMN1; SMN2NPC1RAB9AFAAHDNM1L
Hydrochloric Acid SCHEMBL1146413 0.84 FAAH (0.48) SMN1; SMN2NPC1RAB9AFAAHDNM1L
SCHEMBL1937653 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AFAAHAR
SCHEMBL22078049 0.74 DNM1L (0.50) SMN1; SMN2NPC1RAB9AFAAHDNM1L
SCHEMBL1146740 0.74 FAAH (0.49) SMN1; SMN2NPC1RAB9AFAAHAR
SCHEMBL22592645 0.72 DNM1L (0.41) SMN1; SMN2NPC1RAB9AFAAHDNM1L
SCHEMBL3774648 0.71 FAAH (0.62) SMN1; SMN2NPC1RAB9AFAAHAR
SCHEMBL22592719 0.71 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AFAAHDNM1L

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
WO-2008114054-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed