SCHEMBL8559788

SCHEMBL8559788

Nc1ccc(N2CCN(Cc3ncsn3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GFER P55789 4/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 3/20 0.50
RAD52 P43351 1/20 0.50
LMNA P02545 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA2C P18825 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL8555562 0.85 DRD4 (0.54) MAPTSMN1; SMN2GAAKDM4ELMNA
SCHEMBL8555924 0.82 MAPT (0.53) MAPTGFERGAAKDM4ELMNA
SCHEMBL8556657 0.75 MEN1 (0.51) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL8557359 0.73 CXCR4 (0.43) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL7481150 0.73 ALDH1A1 (0.41) MAPTSMN1; SMN2GFERGAAKDM4E
SCHEMBL8558421 0.73 ALDH1A1 (0.55) MAPTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL8556503 0.73 SIGMAR1 (0.58) LMNAALDH1A1KMT2APOLBHSD17B10
SCHEMBL6698408 0.71 MAPT (0.50) MAPTSMN1; SMN2GFERGAAKDM4E
SCHEMBL8560517 0.71 CYP2C19 (0.40) MAPTSMN1; SMN2GAAKDM4ELMNA
SCHEMBL8555169 0.71 DRD2 (0.38) ALDH1A1KMT2AMEN1

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 2 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
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed