SCHEMBL8801413

SCHEMBL8801413

Cc1cnc2c(n1)N(Cc1ccccc1)S(=O)(=O)N=C2N

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.35
THRB P10828 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 2/20 0.34
TLR7 Q9NYK1 4/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
POLB P06746 2/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8800267 0.74 HRH4 (0.30) HRH4
SCHEMBL563046 0.73 ALDH1A1 (0.46) MAPTALDH1A1GAABRD4LMNA
SCHEMBL8801148 0.71
SCHEMBL562165 0.69 ALDH1A1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL562684 0.68 ALDH1A1 (0.50) MAPTTSHRALDH1A1LMNACYP1A2
SCHEMBL10667815 0.65 CYP1A2 (0.36) MAPTTSHRALDH1A1GAACYP1A2
SCHEMBL8801218 0.62
SCHEMBL9821407 0.61 CA12 (0.52) MAPTGAABRD4KMT2A
SCHEMBL4480012 0.61 L3MBTL1 (0.63) MAPTTSHRALDH1A1GAALMNA
SCHEMBL10555250 0.59 CA12 (0.40) MAPTALDH1A1GAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580916-B1 N(1) substituted pyrazino [2,3-c]-1,2,6-thiadiazine 2,2-dioxides and their use as pharmaceuticals PRODESFARMA SA (ES) 1997-03-05 EP disclosed