SCHEMBL8559854

SCHEMBL8559854

c1nc(N2CCCC2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GALR3 O60755 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CHKA P35790 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL30607247 0.98 SMN1; SMN2 (0.39) HRH1SMN1; SMN2USP2TDP1CASP1
SCHEMBL8674633 0.80 LMNA (0.52) SMN1; SMN2USP2ALDH1A1NPC1RAB9A
SCHEMBL8557936 0.76 CHRNA7 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL8559247 0.73 DRD2 (0.46)
SCHEMBL8559178 0.73 MEN1 (0.46) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8670927 0.70 DRD2 (0.42) TP53MAPT
SCHEMBL8555816 0.69 SIGMAR1 (0.56) CASP1CASP5ALDH1A1NPC1RAB9A
SCHEMBL8626661 0.68 GRIN2D (0.48) MAPT
SCHEMBL18228600 0.67 KDM4E (0.60) SMN1; SMN2USP2TDP1ALDH1A1NPC1
SCHEMBL3339822 0.67 KDM4E (0.60) SMN1; SMN2USP2TDP1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
CN-1216547-A Proton pump inhibitor APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed