SCHEMBL21021182

SCHEMBL21021182

C=C(Nc1ccccc1C)c1cc(NC(=C)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 4/20 0.34
MAPK1 P28482 1/20 0.34
RORC P51449 1/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21021436 0.84 HTT (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21020557 0.83 NPC1 (0.32) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21019722 0.83 MEN1 (0.32) MEN1KMT2AALDH1A1RECQL
SCHEMBL21022006 0.82 MEN1 (0.39) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21022107 0.81 MEN1 (0.35) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL21019976 0.81 HTT (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21021274 0.81 HTT (0.36) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146465 0.80 MEN1 (0.51) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146469 0.80 MEN1 (0.51) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146466 0.80 MEN1 (0.51) 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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed