SCHEMBL9867020

SCHEMBL9867020

CC(=NS(=O)(=O)c1nc(-c2ccccc2C)ns1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 3/20 0.33
CYP1A2 P05177 3/20 0.33
NR1H4 Q96RI1 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
NPC1 O15118 4/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SLC9A1 P19634 2/20 0.32
RAB9A P51151 3/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9867538 0.85 SMN1; SMN2 (0.45) L3MBTL1MAPK1SMN1; SMN2NPC1MAPT
SCHEMBL10642054 0.80 L3MBTL1 (0.38) L3MBTL1MAPK1CYP1A2NR1H4CLK4
SCHEMBL9867104 0.79 LMNA (0.40) L3MBTL1MAPK1CYP1A2CLK4CYP2C19
SCHEMBL9867461 0.78 L3MBTL1 (0.36) L3MBTL1CYP1A2NR1H4CYP2C19SMN1; SMN2
SCHEMBL9867465 0.78 L3MBTL1 (0.36) L3MBTL1CYP1A2NR1H4CYP2C19SMN1; SMN2
SCHEMBL9867475 0.74 CA1 (0.45) L3MBTL1MAPK1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9867023 0.70 NPC1 (0.41) L3MBTL1MAPK1TSHRSMN1; SMN2NPC1
SCHEMBL9867029 0.70 NPC1 (0.41) L3MBTL1MAPK1TSHRSMN1; SMN2NPC1
SCHEMBL9866060 0.69 MEN1 (0.44) L3MBTL1MAPK1CYP1A2CLK4CYP2C19
SCHEMBL9866057 0.69 MEN1 (0.44) L3MBTL1MAPK1CYP1A2CLK4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 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
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 US disclosed