SCHEMBL7486172

SCHEMBL7486172

CCOC(=O)c1nsc2nc3ccccc3n12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPC1 O15118 1/20 0.44
ADORA2B P29275 2/20 0.43
ADORA1 P30542 1/20 0.43
PSMD14 O00487 1/20 0.43
PDE2A O00408 2/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7479695 0.88 TSHR (0.46) KDM4ERAB9AHSD17B10SMN1; SMN2TP53
SCHEMBL7485473 0.85 ALDH1A1 (0.49) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7479483 0.85 TDP1 (0.43) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7484099 0.82 ADORA3 (0.43) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7481366 0.82 MEN1 (0.44) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7486338 0.80 KDM4E (0.47) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7484824 0.80 HPGD (0.44) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7479334 0.80 KDM4E (0.46) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7483925 0.79 KDM4E (0.43) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL8034975 0.77 KDM4E (0.42) KDM4ERAB9AHSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed