SCHEMBL11028987

SCHEMBL11028987

CCC(C)SN(SC(C)CC)c1nc(Cl)nc(N(SC(C)CC)SC(C)CC)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11029817 0.90
SCHEMBL11082046 0.88 PDE4A (0.35)
SCHEMBL10351408 0.79 GAA (0.32) GAA
SCHEMBL11164697 0.77 TXN (0.32)
SCHEMBL11029999 0.71 ALDH1A1 (0.33)
SCHEMBL11027347 0.68 ALDH1A1 (0.31)
SCHEMBL11029045 0.68 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL11032177 0.68 PDE4A (0.38)
SCHEMBL11026801 0.68 ALDH1A1 (0.35)
SCHEMBL1906009 0.67 LMNA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078784-B1 THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4460769-A Thio-amino-1,3,5-triazines MONSANTO COMPANY (US) 1984-07-17 US disclosed
EP-0078784-A1 Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors MONSANTO COMPANY (US) 1983-05-11 EP disclosed
US-4380609-A Prevulcanization inhibitors of thio-triazine-amines for rubber MONSANTO COMPANY (US) 1983-04-19 US disclosed