SCHEMBL7474510

SCHEMBL7474510

CCN1CCN(Cc2nsc3nc4ccccc4n23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
GRM2 Q14416 8/20 0.47
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD4 P21917 4/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL7477813 0.90 KDM4E (0.49) KDM4ELMNASMN1; SMN2MAPTHTT
SCHEMBL7477867 0.88 MEN1 (0.56) KDM4ELMNASMN1; SMN2MAPTHTT
SCHEMBL7477326 0.87 MEN1 (0.52) KDM4ELMNASMN1; SMN2MAPTGRM2
SCHEMBL7475139 0.86 GRM2 (0.62) KDM4ELMNASMN1; SMN2MAPTHTT
SCHEMBL7471278 0.85 KDM4E (0.58) KDM4ELMNASMN1; SMN2MAPTHTT
SCHEMBL7474146 0.85 HPGD (0.59) KDM4ELMNASMN1; SMN2MAPTGRM2
SCHEMBL7477891 0.83 GRM2 (0.49) KDM4ELMNASMN1; SMN2GRM2MEN1
SCHEMBL7473319 0.82 GRM2 (0.51) KDM4ELMNASMN1; SMN2MAPTHTT
SCHEMBL7477890 0.82 SMN1; SMN2 (0.47) LMNASMN1; SMN2MAPTHTTKMT2A
SCHEMBL7481507 0.82 KDM4E (0.53) KDM4ESMN1; SMN2MAPTMEN1KMT2A

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 10 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
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed