SCHEMBL20076465

SCHEMBL20076465

C=C(N/N=C/c1ccc(C)cc1F)c1cc(NC(=C)C2C(c3cc(C)cc(C)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30
EGFR P00533 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 0.80 HTT (0.36) NPC1RAB9AMEN1ALDH1A1RECQL
SCHEMBL21021436 0.78 HTT (0.37) NPC1RAB9AMEN1ALDH1A1RECQL
SCHEMBL20076459 0.77 KMT2A (0.37) MEN1ALDH1A1RECQLKMT2AHTT
SCHEMBL20076431 0.77 MEN1 (0.37) NPC1RAB9AMEN1ALDH1A1RECQL
SCHEMBL21022201 0.76 MEN1 (0.37) NPC1RAB9AMEN1ALDH1A1RECQL
SCHEMBL21022022 0.75 MEN1 (0.32) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21021607 0.75 MEN1 (0.37) MEN1ALDH1A1RECQLKMT2AHTT
SCHEMBL21019976 0.73 HTT (0.37) MEN1ALDH1A1RECQLKMT2AHTT
SCHEMBL21021736 0.73 KMT2A (0.38) MEN1ALDH1A1RECQLKMT2AHTT
SCHEMBL23465326 0.72 MEN1 (0.44) NPC1RAB9AMEN1ALDH1A1RECQL

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