SCHEMBL7477413

SCHEMBL7477413

CCCCN(CCCC)Cc1nsc2nc3ccccc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TLR7 Q9NYK1 3/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
ALOX15 P16050 1/20 0.38
CREBBP Q92793 1/20 0.38
TLR8 Q9NR97 3/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 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
SCHEMBL7475265 0.92 ALOX15 (0.41) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7481859 0.87 PKM (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7481115 0.81 KDM4E (0.40) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL7481507 0.81 KDM4E (0.53) KDM4EMAPTHPGDKMT2AMEN1
SCHEMBL7475747 0.77 KDM4E (0.43) ALOX15KDM4EMAPTHPGDKMT2A
SCHEMBL7477867 0.75 MEN1 (0.56) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7474510 0.73 KDM4E (0.48) DRD2DRD3KDM4EMAPTHPGD
SCHEMBL7482168 0.73 MEN1 (0.48) TLR7KDM4EMAPTHPGDKMT2A
SCHEMBL844711 0.73 SMN1; SMN2 (0.55) ATP4AATP4BKDM4EMAPTALDH1A1
SCHEMBL7485545 0.73 ALDH1A1 (0.45) TLR7TLR8KDM4EMAPTHPGD

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 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-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