SCHEMBL7473547

SCHEMBL7473547

c1ccc(CNc2nsc3nc4ccccc4n23)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 9/20 0.55
HTT P42858 3/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE5A O76074 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43

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
SCHEMBL7476136 0.79 KMT2A (0.41) ALDH1A1KDM4EHTTTSHRALOX15
SCHEMBL7477152 0.79 KDM4E (0.40) ALDH1A1KDM4EHTTTSHRALOX15
SCHEMBL7482369 0.74 HSD17B10 (0.43) ALDH1A1KDM4EHTTTSHRALOX15
SCHEMBL7484435 0.71 TSHR (0.38) ALDH1A1KDM4EHTTTSHRMEN1
SCHEMBL7473909 0.70 CTSD (0.47) ALDH1A1KDM4EHTTTSHRMEN1
SCHEMBL7478971 0.68 LCK (0.49) ALDH1A1KDM4EHTTTSHRMEN1
SCHEMBL19714130 0.68 ALDH1A1 (0.61) ALDH1A1KDM4EHTTTSHRALOX15
SCHEMBL7472082 0.68 SMN1; SMN2 (0.41) ALDH1A1KDM4EHTTTSHRMEN1
SCHEMBL8672672 0.68 MEN1 (0.39) ALDH1A1KDM4EHTTTSHRALOX15
SCHEMBL7479423 0.67 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed
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