SCHEMBL8556657

SCHEMBL8556657

c1cnc(N2CCN(Cc3ncsn3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL8558421 0.82 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1POLBTSHR
SCHEMBL8555562 0.80 DRD4 (0.54) KMT2AKDM4EALDH1A1NPSR1DRD2
SCHEMBL8674633 0.79 LMNA (0.52) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8557359 0.77 CXCR4 (0.43) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL7481150 0.77 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8556503 0.76 SIGMAR1 (0.58) KMT2AALDH1A1POLBHSD17B10DRD2
SCHEMBL8559788 0.75 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8560517 0.74 CYP2C19 (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL8555169 0.74 DRD2 (0.38) MEN1KMT2AALDH1A1DRD2
SCHEMBL1876523 0.73 MEN1 (0.87) MEN1KMT2AKDM4EALDH1A1POLB

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