SCHEMBL27760992

SCHEMBL27760992

O=C(C(CCl)c1ccccc1Cl)C(CCl)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
KCNQ2 O43526 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACP3 P15309 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
AOC3 Q16853 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CXCL8 P10145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8833604 0.84 KCNQ2 (0.51) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL30821928 0.77 KCNQ2 (0.50) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL9588027 0.77 KCNQ2 (0.49) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL1489632 0.77 KCNQ2 (0.50) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL2032138 0.76 KCNQ2 (0.48) CASP1KCNQ2MEN1KMT2AADRB2
SCHEMBL6557129 0.76 POLB (0.49) KMT2AALDH1A1TSHRKDM4EGAA
SCHEMBL23886595 0.74 MEN1 (0.51) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL7812432 0.74 MEN1 (0.51) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL30370919 0.74 MEN1 (0.51) CASP1KCNQ2MEN1KMT2AACP3
SCHEMBL30370732 0.74 MEN1 (0.51) CASP1KCNQ2MEN1KMT2AACP3

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
CN-101568259-A Azolylmethyloxiranes, use thereof for controlling phytopathogenic fungi, and compositions comprising same BASF SE (DE) 2009-10-28 CN disclosed