Sugi Predict

Sugi Predict / Compounds / SCHEMBL9530210

SCHEMBL9530210

SCHEMBL9530210

CC(C)(C)NC(N)=Nc1ccccc1N1CCOSC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ BCHE P06276 1/20 0.30

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
SCHEMBL9424133 0.85 — —
SCHEMBL9533260 0.84 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9533258 0.84 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27303199 0.80 BCHE (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9059187 0.80 SIGMAR1 (0.36) SIGMAR1
SCHEMBL9530216 0.79 GAA (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9424589 0.79 — —
SCHEMBL9059505 0.70 BCHE (0.34) BCHE
SCHEMBL9424008 0.70 ALDH1A1 (0.40) —
SCHEMBL9424006 0.70 ALDH1A1 (0.40) —

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
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 — — EP disclosed