SCHEMBL6503891

SCHEMBL6503891

Cc1c2c(nn1-c1cc(SC(C)C)c(C#N)cc1F)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.32
S1PR1 P21453 2/20 0.32
XDH P47989 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
SCHEMBL6500898 0.84 SLC34A1 (0.36) SLC34A1S1PR1
SCHEMBL10466805 0.74
SCHEMBL10563884 0.69 SLC34A1 (0.36) SLC34A1
SCHEMBL10564557 0.69 PPOX (0.49) S1PR1
SCHEMBL10561933 0.69 SLC34A1 (0.35) SLC34A1
SCHEMBL11664985 0.68 LMNA (0.39) SLC34A1
SCHEMBL7941448 0.68 SLC34A1 (0.38) SLC34A1
SCHEMBL6728852 0.66 GPR139 (0.35)
SCHEMBL9820824 0.65 ALDH1A1 (0.38) SLC34A1
SCHEMBL10560134 0.64 PPOX (0.37) SLC34A1

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
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed