SCHEMBL7978240

SCHEMBL7978240

Cc1sc(C(=O)NN)c(S(N)(=O)=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 5/20 0.45
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.35
ADORA2A P29274 1/20 0.35
HSD17B10 Q99714 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
PSMD14 O00487 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7982273 0.84 ALDH1A1 (0.38) ALDH1A1GAAKDM4EL3MBTL1ADORA2A
SCHEMBL7979698 0.64 ALDH1A1 (0.46) ALDH1A1GAAKDM4EL3MBTL1ADORA2A
SCHEMBL18430437 0.63 ALDH1A1 (0.50) ALDH1A1GAAKDM4EADORA2AHSD17B10
SCHEMBL9097378 0.63 MELK (0.41) ALDH1A1GAAKDM4EL3MBTL1ADORA2A
SCHEMBL16863715 0.62 ALDH1A1 (0.41) ALDH1A1GAAKDM4EADORA2AHSD17B10
SCHEMBL14549321 0.62 GPR35 (0.42) ALDH1A1GAAKDM4EADORA2AHSD17B10
SCHEMBL3133960 0.62 GAA (0.47) ALDH1A1GAAKDM4EL3MBTL1ADORA2A
SCHEMBL3135234 0.61 L3MBTL1 (0.58) ALDH1A1GAAKDM4EL3MBTL1ADORA2A
SCHEMBL14954980 0.60 GAA (0.55) ALDH1A1GAAKDM4EADORA2AHSD17B10
SCHEMBL2644163 0.60 APOBEC3G (0.56) ALDH1A1GAAKDM4ESMN1; SMN2HPGD

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
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1000066-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-17 EP disclosed
WO-1999003861-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-28 WO disclosed