SCHEMBL3232017

SCHEMBL3232017

O=C(O)c1ncn(Cc2ccccc2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.71
GAA P10253 1/20 0.71
TSHR P16473 1/20 0.71
TNF P01375 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
EGLN1 Q9GZT9 2/20 0.47
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOTUM Q6P988 1/20 0.44
TP53 P04637 1/20 0.43
PABPC1 P11940 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
PARN O95453 1/20 0.43
CNOT7 Q9UIV1 1/20 0.43
ATM Q13315 1/20 0.42
ACP1 P24666 1/20 0.42

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
SCHEMBL2808649 0.83 PKM (1.00) PKMGAATSHRTNFCYP11B1
SCHEMBL4958156 0.82 PKM (0.69) PKMGAATSHRTNFCYP11B1
SCHEMBL2146048 0.78 PKM (0.64) PKMGAATSHRTNFCYP11B1
SCHEMBL3831672 0.77 PKM (0.62) PKMGAATSHRTNFCYP11B1
SCHEMBL15722800 0.77 POLB (0.56) PKMGAATSHRTNFCYP11B1
SCHEMBL29260917 0.75 PKM (0.69) PKMGAATSHRTNFCYP11B1
SCHEMBL3264639 0.75 GAA (0.49) PKMGAATSHRTNFCYP11B1
SCHEMBL11492795 0.75 PKM (0.76) PKMGAATSHREGLN1ACP1
SCHEMBL21314978 0.75 PKM (0.44) PKMGAATSHRPOLB
SCHEMBL9367365 0.74 PKM (0.59) PKMGAATSHRTNFCYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009847-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, METHOD FOR THE PRODUCTION THEREOF, AND USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 WO disclosed
EP-2147919-A1 Heterocyclic substituted amides, method for their manufacture and their use as herbicides Bayer CropScience Aktiengesellschaft (DE) 2010-01-27 EP disclosed