SCHEMBL21020609

SCHEMBL21020609

C=C(Nc1ccc(CC(C)(C)F)cc1)c1cc(NC(=C)C2C(c3cccc(C)c3)C2(C)Cl)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
GHSR Q92847 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 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
SCHEMBL21019715 0.77 MEN1 (0.33) MEN1KMT2AALDH1A1RECQLGAA
SCHEMBL21021313 0.76 MEN1 (0.30) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL21021560 0.76 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1RECQLGAA
SCHEMBL20076434 0.74 MEN1 (0.32) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL21022202 0.73 ALDH1A1 (0.34) MEN1KMT2AALDH1A1RECQLGAA
SCHEMBL21021121 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLGAA
SCHEMBL20076609 0.72 KMT2A (0.35) MEN1KMT2AALDH1A1RECQLGAA
SCHEMBL21022257 0.72 NPC1 (0.31) MEN1KMT2AGAAMAPT
SCHEMBL21021125 0.72
SCHEMBL21021366 0.71 MEN1 (0.30) MEN1KMT2A

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