SCHEMBL9866121

SCHEMBL9866121

CO/C(=N\S(=O)(=O)c1nc(-c2ccccc2)ns1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
ADORA3 P0DMS8 11/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL9866126 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9867465 0.86 L3MBTL1 (0.36) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9866761 0.85 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9866764 0.85 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9868519 0.76 ADORA3 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9867538 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9868449 0.75 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9868446 0.75 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9867549 0.74 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL9867544 0.74 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US claimed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed