SCHEMBL20076562

SCHEMBL20076562

C=C(C)c1cc(NC(=C)C2CC2(C)Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RORC P51449 1/20 0.34
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AVPR1A P37288 1/20 0.32

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
SCHEMBL21020245 0.90 MEN1 (0.39) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL20076551 0.85 BACE1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20076414 0.83 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21021682 0.80 RAB9A (0.40) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21021640 0.80 RAB9A (0.34) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21021233 0.79 RAB9A (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21021769 0.79 RAB9A (0.40) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21022025 0.78 BACE1 (0.33) BACE1
SCHEMBL21022245 0.78 HDAC1 (0.33) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL21021586 0.77 BACE1 (0.33) BACE1

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