SCHEMBL20076812

SCHEMBL20076812

C=C(Nc1ccc(C)c(C)c1)C1C(c2cc(C)cc(C)c2)C1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 3/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL21020711 0.92 MEN1 (0.36) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021195 0.90 MEN1 (0.39) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021594 0.88 POLB (0.37) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021326 0.87 MEN1 (0.37) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21020814 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL20076548 0.82 POLB (0.34) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021607 0.81 MEN1 (0.37) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021871 0.81 MEN1 (0.37) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021214 0.81 MEN1 (0.39) KMT2AMEN1ALDH1A1RECQLHTT
SCHEMBL21021143 0.80 HTT (0.35) KMT2AMEN1ALDH1A1RECQLHTT

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