SCHEMBL20076571

SCHEMBL20076571

C=C(Nc1ccc(C)c(-c2ccc(C)cc2C)c1)C1C(c2ccc(C)c(C)c2)C1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21020814 0.81 MEN1 (0.36) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20076812 0.79 KMT2A (0.41) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21020626 0.76 MAPK14 (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21021225 0.74 HTT (0.38) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21020555 0.74 HTT (0.34) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21021207 0.74 MEN1 (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20076590 0.74 SLC9A1 (0.34)
SCHEMBL21020723 0.73 MEN1 (0.34) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21022270 0.73 SLC9A1 (0.38)
SCHEMBL21020711 0.72 MEN1 (0.36) HTTLMNAHPGDMEN1KMT2A

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