SCHEMBL14976807

SCHEMBL14976807

Cc1ccc(S(=O)(=O)Nc2ccc(SCCN(C)C)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALOX15 P16050 1/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CACNA1H O95180 2/20 0.44
CACNA1B Q00975 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14976472 0.90 CACNA1B (0.43) CACNA1HCACNA1BFFAR4SMN1; SMN2FFAR1
SCHEMBL14976775 0.89 HTR6 (0.53) LMNAALDH1A1CACNA1HCACNA1BMEN1
SCHEMBL14977115 0.84 HTR6 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL14976040 0.84 HDAC3 (0.47) LMNAALDH1A1CACNA1HCACNA1BKMT2A
SCHEMBL14977421 0.81 HSD17B2 (0.52) CA2MAPTCACNA1HCACNA1BKMT2A
SCHEMBL14976733 0.79 HTR7 (0.47) ALDH1A1MCL1TDP1KMT2A
SCHEMBL2005010 0.68 CA12 (0.81) CA12CA2CA9LMNAALDH1A1
SCHEMBL3367872 0.68 MEN1 (0.73) CA12CA2CA9LMNAALDH1A1
SCHEMBL6555446 0.68 MEN1 (0.73) CA12CA2CA9LMNAALDH1A1
SCHEMBL14977083 0.67 ALDH1A1 (0.44) CA2ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO disclosed
WO-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO disclosed