SCHEMBL4153908

SCHEMBL4153908

Cc1nc(C2CCCCC2)ccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.47
KDM4E B2RXH2 2/20 0.40
CDC7 O00311 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 5/20 0.39
CD38 P28907 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 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
SCHEMBL28014566 0.92 NNMT (0.51) NNMTKDM4EMEN1KMT2AGABRP
SCHEMBL25149306 0.81 PARP15 (0.42) NNMTKDM4ECDC7MEN1MAPT
SCHEMBL25148626 0.81 PARP15 (0.42) NNMTKDM4ECDC7MEN1MAPT
SCHEMBL4598550 0.80 NPC1 (0.51) KDM4EKMT2A
SCHEMBL29580982 0.78 PARP1 (0.43) NNMTKDM4ECDC7MEN1MAPT
SCHEMBL21816284 0.77 GABRP (0.53) KDM4EMEN1MAPTKMT2AGABRP
SCHEMBL21906150 0.76 PARP1 (0.38) KDM4ECDC7MEN1MAPTKMT2A
SCHEMBL4329258 0.74 MAPT (0.42) NNMTKDM4ECDC7MEN1MAPT
SCHEMBL17861720 0.73 PIM3 (0.48) SYK
SCHEMBL22093086 0.72 PARP1 (0.40) KMT2ASYKEGFRTECBTK

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-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed