SCHEMBL20076458

SCHEMBL20076458

C=Cc1cc(NC(=C)C2C(c3cc(C)cc(C)c3)C2(C)Cl)ccc1C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL21021326 0.90 MEN1 (0.37) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21021594 0.87 POLB (0.37) MEN1ALDH1A1RECQLKMT2A
SCHEMBL20076667 0.85 GSTO1 (0.31) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21021871 0.84 MEN1 (0.37) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21022010 0.83 MEN1 (0.30) MEN1KMT2A
SCHEMBL21021520 0.83
SCHEMBL21021630 0.82 MEN1 (0.37) MEN1ALDH1A1RECQLKMT2A
SCHEMBL20076548 0.81 POLB (0.34) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21021121 0.80 MEN1 (0.48) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21021607 0.80 MEN1 (0.37) MEN1ALDH1A1RECQLKMT2A

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