SCHEMBL11030573

SCHEMBL11030573

Nc1nc(Cl)nc(N(SC2CCCCCCC2)SC2CCCCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 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
SCHEMBL11029923 0.98 PDE4A (0.38) PDE4A
SCHEMBL11028209 0.88 PDE4A (0.32) PDE4A
SCHEMBL11027253 0.86
SCHEMBL11025660 0.78
SCHEMBL11030849 0.78
SCHEMBL11077143 0.76
SCHEMBL11027723 0.70 ALDH1A1 (0.36)
SCHEMBL11030468 0.70 PDE4A (0.41) PDE4A
SCHEMBL11158385 0.69
SCHEMBL25403173 0.68 PDE4A (0.40) PDE4A

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 3 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