SCHEMBL9736679

SCHEMBL9736679

CCCCCOc1ccc(NC=CS(=O)(=O)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
FAAH O00519 13/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9735746 0.78 HPGD (0.50) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL2089558 0.77 NPC1 (0.59) NPC1RAB9AGAAFAAHTSHR
SCHEMBL2200288 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL19946498 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL2089958 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL7929814 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL5948127 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL7930488 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL8957605 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR
SCHEMBL19946505 0.76 NPC1 (0.58) NPC1RAB9AFAAHTSHR

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
US-5112866-A Sulfonylfluorides as intermediates, also useful in treatment of bone disorders, antisecretory, antiulcer ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-12 US disclosed