SCHEMBL21022280

SCHEMBL21022280

Cc1cc(C#N)cc(C2C(C=O)C2(Cl)Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
XDH P47989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 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
SCHEMBL18143649 0.82 FADS1 (0.34)
SCHEMBL18143648 0.82 FADS1 (0.34)
SCHEMBL18143647 0.82 FADS1 (0.34)
SCHEMBL21022344 0.80 CYP2A6 (0.36) CYP2A6
SCHEMBL21018992 0.80 SLC9A1 (0.35) FFAR4
SCHEMBL21021958 0.79 FFAR4 (0.40) FFAR4ALDH1A1
SCHEMBL25870317 0.75 FFAR4 (0.34) FFAR4
SCHEMBL21022311 0.72 MGLL (0.32) FFAR4
SCHEMBL1484446 0.70 CYP2A6 (0.38) FFAR4XDHALDH1A1CYP2A6
SCHEMBL18144049 0.70 SLC9A1 (0.39) ALDH1A1

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-3578541-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITION, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP disclosed
EP-3283460-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITION, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed