SCHEMBL6842010

SCHEMBL6842010

C[C@@]1(C(Cl)Cl)C2CCC1(CS(=O)(=O)N1CO1)C(=O)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CXCR3 P49682 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6335926 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL362333 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29652034 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL6337655 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9120461 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL158053 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL306514 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL1603596 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL416659 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1
SCHEMBL28535921 0.79 KMT2A (0.43) SMN1; SMN2KDM4EKMT2AMEN1L3MBTL1

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-6774263-B1 N-(2-CHLORO-5-METHYLTHIOPHENYL)-N'-(3-METHYLSULFINYLPHENYL)-N' -METHYLGUANIDINE; NEURODEGENERATIVE DISORDER TREATMENT CAMBRIDGE NEUROSCIENCE, INC. 2004-08-10 US disclosed
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP disclosed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP disclosed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO disclosed