SCHEMBL7982273

SCHEMBL7982273

COC(=O)c1sc(C)c(C#N)c1S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KMT2A Q03164 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CISD2 Q8N5K1 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 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
SCHEMBL28645315 0.86 PLA2G1B (0.37) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL7978240 0.84 ALDH1A1 (0.45) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL7979698 0.78 ALDH1A1 (0.46) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL18430437 0.77 ALDH1A1 (0.50) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL27469752 0.74 KMT2A (0.40) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL7965913 0.72 ALDH1A1 (0.50) ALDH1A1HPGDGAAKDM4EKMT2A
SCHEMBL8582491 0.71 ALDH1A1 (0.45) ALDH1A1HPGDGAAKDM4EPLA2G1B
SCHEMBL13861203 0.70 ALDH1A1 (0.47) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL13984089 0.70 L3MBTL1 (0.41) ALDH1A1HPGDGAAADORA2AKDM4E
SCHEMBL3050182 0.68 ADORA2A (0.55) ALDH1A1HPGDGAAADORA2AKDM4E

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