SCHEMBL8446901

SCHEMBL8446901

O=S(=O)(O)CCCNCCCS(=O)(=O)O.c1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
KDM1A O60341 9/20 0.46
MAOB P27338 6/20 0.45
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL917841 0.85 GRIN1 (0.66) GRIN1GRIN2AKDM1AMAOBSIGMAR1
SCHEMBL9132268 0.83 GRIN1 (0.64) GRIN1GRIN2AKDM1AMAOBSIGMAR1
SCHEMBL10232539 0.82 KDM4E (0.58) GRIN1GRIN2A
SCHEMBL10230682 0.82 KDM4E (0.58) GRIN1GRIN2A
SCHEMBL10277987 0.82 KDM4E (0.58) GRIN1GRIN2A
SCHEMBL9848956 0.79 MTOR (0.57) KDM1AMAOB
SCHEMBL354130 0.79 GRIN1 (0.45) GRIN1GRIN2AKDM1AMAOB
SCHEMBL9127621 0.78 MTOR (0.55) KDM1AMAOB
SCHEMBL917676 0.77 MAOA (0.66) SIGMAR1
SCHEMBL10231050 0.77 CYP3A4 (0.53) KCNH2

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
JP-11313697-A None JP disclosed
JP-H11313697-A ENZYMATIC IMMUNOASSAY FUJIREBIO INC 1999-11-16 JP disclosed