SCHEMBL21021606

SCHEMBL21021606

C=C(Nc1ccc(N)cc1C#N)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 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
SCHEMBL21021274 0.82 HTT (0.36) ALDH1A1HPGDMEN1RECQLKMT2A
SCHEMBL21021635 0.81 SLC9A1 (0.30)
SCHEMBL21022022 0.80 MEN1 (0.32) ALDH1A1MEN1RECQLKMT2A
SCHEMBL21021736 0.79 KMT2A (0.38) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL21021313 0.79 MEN1 (0.30) ALDH1A1GAAMEN1KMT2A
SCHEMBL21019976 0.79 HTT (0.37) ALDH1A1GAAHPGDMEN1RECQL
SCHEMBL21021436 0.78 HTT (0.37) ALDH1A1HPGDMEN1RECQLKMT2A
SCHEMBL18147019 0.78 MEN1 (0.38) ALDH1A1HPGDMEN1RECQLKMT2A
SCHEMBL18147015 0.78 MEN1 (0.38) ALDH1A1HPGDMEN1RECQLKMT2A
SCHEMBL18147012 0.78 MEN1 (0.38) ALDH1A1HPGDMEN1RECQLKMT2A

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