SCHEMBL21021202

SCHEMBL21021202

C=C(Nc1ccc(C)c(-c2cccc(C)c2)c1)C1C(c2ccc(C)cc2)C1(O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
CNR1 P21554 3/20 0.37
HTT P42858 2/20 0.36
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 1/20 0.33
RAF1 P04049 3/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
AKT2 P31751 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
GAA P10253 1/20 0.31
BRAF P15056 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
SCHEMBL21020536 0.90 MAPK14 (0.40) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21020555 0.83 HTT (0.34) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021225 0.73 HTT (0.38) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21022219 0.73 MEN1 (0.39) KMT2AMEN1ALDH1A1RECQLCNR1
SCHEMBL21021307 0.71 MEN1 (0.42) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL20076571 0.70 HTT (0.39) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21020626 0.70 MAPK14 (0.37) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21022198 0.70 POLB (0.39) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL21022136 0.70 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1RECQL
SCHEMBL21022180 0.70 NPC1 (0.33) KMT2AMEN1ALDH1A1RECQLLMNA

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