SCHEMBL21021609

SCHEMBL21021609

C=Cc1cc(NC(=O)C2C(c3cccc(C(C)F)c3)C2(Cl)Cl)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 4/20 0.44
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDR P35968 1/20 0.31

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
SCHEMBL21022050 0.73 MEN1 (0.41) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022276 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022010 0.72 MEN1 (0.30) MEN1KMT2AMAPT
SCHEMBL20076747 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021326 0.69 MEN1 (0.37) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022502 0.69 KMT2A (0.47) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021961 0.68 MEN1 (0.51) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021959 0.67 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18145883 0.67 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18145881 0.67 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLLMNA

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