SCHEMBL8555816

SCHEMBL8555816

c1ccc(CN2CCN(c3ncsn3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
DRD4 P21917 3/20 0.56
CASP1 P29466 1/20 0.54
CASP5 P51878 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTR7 P34969 1/20 0.49

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
SCHEMBL8556503 0.83 SIGMAR1 (0.58) SIGMAR1ALDH1A1DRD4KMT2A
SCHEMBL8357217 0.80 ALDH1A1 (0.82) SIGMAR1ALDH1A1TSHRDRD4GAA
SCHEMBL8558558 0.78 MAPT (0.61) SIGMAR1ALDH1A1TSHRDRD4GAA
SCHEMBL28511718 0.78 ALDH1A1 (0.60) SIGMAR1ALDH1A1TSHRDRD4CASP1
SCHEMBL15807699 0.78 ALDH1A1 (0.63) SIGMAR1ALDH1A1TSHRDRD4CASP1
SCHEMBL3763284 0.76 CASP1 (0.55) SIGMAR1ALDH1A1TSHRDRD4CASP1
SCHEMBL8668935 0.76 LMNA (0.55) SIGMAR1ALDH1A1TSHRGAAMEN1
SCHEMBL11384876 0.76 CASP1 (0.66) SIGMAR1ALDH1A1TSHRDRD4CASP1
SCHEMBL8188324 0.75 SIGMAR1 (1.00) SIGMAR1DRD4KMT2A
SCHEMBL2489199 0.75 SIGMAR1 (1.00) SIGMAR1DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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