SCHEMBL9868500

SCHEMBL9868500

COC(=NS(=O)(=O)c1nc(-c2ccccc2Cl)ns1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 3/20 0.34
CNR2 P34972 1/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SLC9A1 P19634 1/20 0.33
PKM P14618 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
SCHEMBL9868490 1.00 MEN1 (0.41) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL10641567 0.82 NPC1 (0.41) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9866764 0.82 NPC1 (0.38) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9866761 0.82 NPC1 (0.38) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9867131 0.78 ADORA3 (0.48) SMN1; SMN2RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL9867125 0.78 ADORA3 (0.48) SMN1; SMN2RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL9867029 0.78 NPC1 (0.41) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9867023 0.78 NPC1 (0.41) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9866500 0.72 NPC1 (0.39) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL9868564 0.72 NPC1 (0.39) MEN1KMT2ANPC1SMN1; SMN2RAB9A

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