SCHEMBL21022030

SCHEMBL21022030

C=C(Nc1ccc(F)c(N)c1F)c1cc(NC(=C)C2CC2(C)Cl)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.33
BACE2 Q9Y5Z0 9/20 0.33

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
SCHEMBL21022025 0.92 BACE1 (0.33) BACE1BACE2
SCHEMBL20076719 0.88 BRAF (0.31)
SCHEMBL21021586 0.88 BACE1 (0.33) BACE1BACE2
SCHEMBL21022033 0.87 HDAC1 (0.33)
SCHEMBL21022245 0.85 HDAC1 (0.33)
SCHEMBL20076619 0.84 BRAF (0.32)
SCHEMBL20076601 0.80 LMNA (0.34)
SCHEMBL21021639 0.80 P2RX7 (0.32)
SCHEMBL20076390 0.79 FADS1 (0.31) BACE1BACE2
SCHEMBL21021521 0.78 KMT2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed