SCHEMBL21020566

SCHEMBL21020566

C=C(Nc1c(F)cccc1F)c1cc(NC(=C)C2C(c3cccc(C(C)(C)F)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
IL2 P60568 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21022107 0.84 MEN1 (0.35) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022201 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021220 0.76 CYP2C9 (0.31)
SCHEMBL18148104 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18148107 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18148102 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021357 0.73 MEN1 (0.33) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18147441 0.70 MEN1 (0.43) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021436 0.70 HTT (0.37) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL20076726 0.70 HDAC1 (0.37) MEN1KMT2ALMNAMAPT

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