SCHEMBL7486805

SCHEMBL7486805

O=C(OC1CCCC1)c1nsc2nc3ccccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BCHE P06276 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
GAA P10253 2/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7487297 0.81 POLB (0.43) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7485473 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL7479151 0.77 CHRM4 (0.44) KDM4EKMT2AALDH1A1HSD17B10GAA
SCHEMBL27512534 0.77 L3MBTL1 (0.38) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7486172 0.76 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7481366 0.76 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7483925 0.76 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7486338 0.74 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8034975 0.74 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7479483 0.74 TDP1 (0.43) KDM4EMEN1KMT2AALDH1A1HSD17B10

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