SCHEMBL1829650

SCHEMBL1829650

FC(F)(F)C(c1cc[c]cc1)(c1ccccc1)n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
KCNA3 P22001 1/20 0.42
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL1819296 0.77 KCNN4 (0.39) KCNN4KCNA3
SCHEMBL3434620 0.72 LMNA (0.35) KCNN4KCNA3
SCHEMBL2260969 0.72 KCNN4 (0.34) KCNN4KCNA3
SCHEMBL1822454 0.70 KCNN4 (0.33) KCNN4KCNA3
SCHEMBL2392374 0.69 KCNN4 (0.69) KCNN4KCNA3ALDH1A1TSHRCYP11B1
SCHEMBL2403558 0.68 KCNN4 (0.58) KCNN4KCNA3ALDH1A1TSHRCYP11B1
SCHEMBL3324812 0.67 TSHR (0.44) KCNN4ALDH1A1TSHR
SCHEMBL693451 0.66 TSHR (0.48) KCNN4ALDH1A1TSHR
SCHEMBL7219595 0.66 KCNN4 (0.51) KCNN4KCNA3ALDH1A1TSHRCYP11B1
SCHEMBL11143509 0.66 KCNA3 (0.47) KCNN4KCNA3ALDH1A1TSHRCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed