SCHEMBL7479151

SCHEMBL7479151

c1ccc2c(c1)nc1snc(OC3CCCC3)n12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.44
CHRM5 P08912 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 6/20 0.44
CHRM2 P08172 5/20 0.44
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
VCP P55072 2/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL7478966 0.80 HSD17B10 (0.43) ALDH1A1KDM4EHSD17B10GAALMNA
SCHEMBL7486805 0.77 KDM4E (0.43) ALDH1A1KDM4EHSD17B10GAALMNA
SCHEMBL7486557 0.74 SMN1; SMN2 (0.43) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL7476196 0.73 KDM4E (0.40) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL7473993 0.73 ADORA3 (0.41) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL8034969 0.72 SMN1; SMN2 (0.40) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL7487297 0.72 POLB (0.43) ALDH1A1KDM4EHSD17B10GAALMNA
SCHEMBL7478340 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL7485545 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL7477347 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2KMT2A

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 6 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
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-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed