SCHEMBL8728326

SCHEMBL8728326

NCCNCCCN(CCN)C(N=C=S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.37
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ KDM1A O60341 4/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL1334905 0.89 MIF (0.45) MIF
SCHEMBL1334903 0.72 MIF (0.41) MIFGRIN1GRIN2A
SCHEMBL28593714 0.71 GRIN1 (0.40) GRIN1GRIN2A
SCHEMBL8728324 0.67 ALDH1A1 (0.31) —
SCHEMBL30571084 0.66 GRIN1 (0.41) GRIN1GRIN2A
SCHEMBL7061213 0.63 MAOA (0.39) MIFMAOB
SCHEMBL4204090 0.63 KCNH2 (0.65) GRIN1GRIN2AKDM1AMAOB
Isopropylbenzene SCHEMBL28259979 0.62 TAAR1 (0.47) GRIN1GRIN2A
SCHEMBL9768636 0.61 GRIN1 (0.70) GRIN1GRIN2AKDM1AMAOB
SCHEMBL28568357 0.60 MTOR (0.69) GRIN1GRIN2AKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714166-A Bioactive and/or targeted dendrimer conjugates THE DOW CHEMICAL COMPANY (US) 1998-02-03 — — US disclosed
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