SCHEMBL8555924

SCHEMBL8555924

COc1ccc(N2CCN(Cc3ncsn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD2 P14416 3/20 0.52
LMNA P02545 4/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD4 P21917 4/20 0.48
DRD3 P35462 3/20 0.48
GFER P55789 1/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMO Q99835 2/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8559788 0.82 MAPT (0.50) MAPTALDH1A1KDM4EHTTTDP1
SCHEMBL8555562 0.82 DRD4 (0.54) MAPTALDH1A1KDM4EHTTDRD2
SCHEMBL8555604 0.80 MAPT (0.65) MAPTALDH1A1TDP1DRD2LMNA
SCHEMBL7481150 0.74 ALDH1A1 (0.41) MAPTALDH1A1KDM4EHTTTDP1
SCHEMBL8353109 0.72 DRD2 (0.75) MAPTALDH1A1KDM4EHTTTDP1
SCHEMBL8556657 0.72 MEN1 (0.51) ALDH1A1KDM4EDRD2KMT2AHSD17B10
SCHEMBL11923385 0.72 SIGMAR1 (0.79) MAPTALDH1A1TDP1DRD2LMNA
SCHEMBL8555169 0.71 DRD2 (0.38) ALDH1A1DRD2KMT2AMEN1
SCHEMBL6030381 0.71 ALDH1A1 (0.72) MAPTALDH1A1KDM4EDRD2LMNA
Hydrochloric Acid SCHEMBL11213408 0.71 SIGMAR1 (0.77) MAPTALDH1A1TDP1DRD2LMNA

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 claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed