SCHEMBL20076748

SCHEMBL20076748

CC=Cc1cc(-c2cc(C)ccc2Cl)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.33
ALKBH3 Q96Q83 1/20 0.31
HDAC1 Q13547 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
SCHEMBL20076595 0.74 BRD4 (0.40) ALKBH3
SCHEMBL13535962 0.73 NFE2L2 (0.56) NFE2L2
SCHEMBL25686111 0.73 NFE2L2 (0.56) NFE2L2
SCHEMBL13806116 0.73 LMNA (0.37) ALKBH3
SCHEMBL23347609 0.69 GABRA1 (0.49)
SCHEMBL17543412 0.65 ALDH1A1 (0.33)
SCHEMBL17543415 0.65 ALDH1A1 (0.33)
SCHEMBL21021863 0.65 PTGES (0.43) ALKBH3
SCHEMBL21020813 0.65 ALKBH3 (0.36) ALKBH3
SCHEMBL21021598 0.65 ALDH1A1 (0.41) ALKBH3

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed