SCHEMBL8563545

SCHEMBL8563545

CCCCCNS(=O)(=O)c1cnccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.54
CYP3A4 P08684 4/20 0.54
TSHR P16473 3/20 0.54
CYP1A2 P05177 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RECQL P46063 1/20 0.49
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
CSNK1G2 P78368 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
LMNA P02545 5/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL13971307 0.83 CSNK1A1 (0.46) CYP3A4HTTSMN1; SMN2CSNK1A1CSNK1D
SCHEMBL8557942 0.83 RECQL (0.49) CYP2C19CYP3A4TSHRCYP1A2MEN1
SCHEMBL31014182 0.79 CYP3A4 (0.72) CYP2C19CYP3A4TSHRCYP1A2MEN1
SCHEMBL8596415 0.79 ALDH1A1 (0.51) CYP2C19CYP3A4TSHRCYP1A2MEN1
SCHEMBL8927387 0.78 ALDH1A1 (0.68) CYP2C19CYP3A4TSHRTDP1HTT
SCHEMBL197333 0.75 GAA (0.68) CYP2C19CYP3A4TSHRCYP1A2MEN1
SCHEMBL197721 0.75 GAA (0.68) CYP2C19CYP3A4TSHRCYP1A2MEN1
SCHEMBL20269565 0.75 GBA1 (0.40) HTTCSNK1A1CSNK1DCSNK1ECSNK1G2
SCHEMBL20269564 0.75 GBA1 (0.40) HTTCSNK1A1CSNK1DCSNK1ECSNK1G2
SCHEMBL7324890 0.75 CYP3A4 (0.71) CYP2C19CYP3A4TSHRCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
US-5459138-A Dysfunctions of glutamatergic neurotransmission associated with learning and memory ADIR ET COMPAGNIE (FR) 1995-10-17 US disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed