SCHEMBL7486338

SCHEMBL7486338

CC(=O)c1nsc2nc3ccccc3n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.43
ALDH3A1 P30838 1/20 0.43
CXCR3 P49682 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ADORA1 P30542 2/20 0.40

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
SCHEMBL7483925 0.86 KDM4E (0.43) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL8034975 0.84 KDM4E (0.42) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL7484099 0.84 ADORA3 (0.43) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL7485473 0.84 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL7474964 0.83 HSD17B10 (0.44) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL7469069 0.82 MAOA (0.51) KDM4EPOLBHSD17B10ALDH1A1HPGD
SCHEMBL7484824 0.81 HPGD (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL7486172 0.80 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL7481366 0.80 MEN1 (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL7474094 0.79 HRH4 (0.48) POLBHSD17B10ALDH1A1HPGDSMN1; 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 9 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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed