SCHEMBL439579

SCHEMBL439579

Cc1cc(N)c2ccc(Cl)c(C)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.65
NCF1 P14598 1/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDPK1 O15530 1/20 0.42
PPARA Q07869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
CRHR1 P34998 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL439768 0.86 NR4A2 (0.65) NR4A2NCF1MAPTL3MBTL1KDM4E
SCHEMBL438259 0.81 NR4A2 (0.54) NR4A2NCF1MAPTKDM4ETDP1
SCHEMBL6588144 0.79 NR4A2 (0.60) NR4A2NCF1MAPTL3MBTL1KDM4E
SCHEMBL438193 0.79 NR4A2 (0.51) NR4A2NCF1MAPTL3MBTL1KDM4E
SCHEMBL4768328 0.79 MAPT (0.49) NR4A2MAPTL3MBTL1KDM4EPDPK1
SCHEMBL438980 0.79 NR4A2 (1.00) NR4A2NCF1MAPTL3MBTL1KDM4E
SCHEMBL439885 0.78 NOS3 (0.41) NR4A2PDPK1PPARANPSR1RXFP1
SCHEMBL11557724 0.74 NR4A2 (0.59) NR4A2MAPTL3MBTL1KDM4ETDP1
SCHEMBL26535237 0.74 CCR1 (0.58) NR4A2NCF1MAPTL3MBTL1KDM4E
SCHEMBL439448 0.74 NR4A2 (0.59) NR4A2NCF1MAPTL3MBTL1KDM4E

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed